Chem L 2 Amino 5 Ureidovaleric Acid

Compound 19
  CheckMol                        TMF02:r0:m0
MF=C6H13N3O3 MW=175.19
 12 11  0  0  1               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4952   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816   -2.2428   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3291   -2.2428   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751   -1.4834   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8686   -2.2310   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1621   -1.4715   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4555   -2.2191   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4437   -3.7143   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7490   -1.4596   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0425   -2.2072   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7372    0.0593   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  END

[L-(+)-2-amino-5-ureidovaleric Acid]

₹ 0.00 0.00

Chemical Name - [L-(+)-2-amino-5-ureidovaleric Acid]
Mol Weight - 175.187
Smiles - N[C@@H](CCCNC(N)=O)C(O)=O

Property Name	Property Value
Mol Name	[L-(+)-2-amino-5-ureidovaleric Acid]
Molweight	175.187
Monoisotopic Mass	175.095692
Clogp	-3.6211
Clogs	-0.976
H Acceptors	6
H Donors	4
Total Surface Area	137.63
Relative Psa	0.58984
Polar Surface Area	118.44
Druglikeness	-12.666
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.75
Molecular Flexibility	0.70784
Molecular Complexity	0.51299
Fragments	1
Non H Atoms	12
Non Ch Atoms	6
Electronegative Atoms	6
Stereo Centers	1
Rotatable Bonds	5
Sp3 Atoms	6
Amides	2
Amines	1
Alkyl Amines	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	N[C@@H](CCCNC(N)=O)C(O)=O
InChIKey	InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChI	RHGKLRLOHDJJDR-BYPYZUCNSA-N

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[L-(+)-2-amino-5-ureidovaleric Acid]