(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid

C12H14ClN3O4 — CID 107315977

IUPAC(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
SMILESCN(CC(N)=O)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H14ClN3O4/c1-16(6-9(14)17)12(20)15-10(11(18)19)7-4-2-3-5-8(7)13/h2-5,10H,6H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m1/s1
InChIKeyIICXVVACRIXZOD-SNVBAGLBSA-N
MW299.71 g/mol
LogP0.59
Rot. Bonds5

About (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315977) has the molecular formula C12H14ClN3O4 and a molecular weight of 299.71 g/mol. Its IUPAC name is (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315977
Molecular FormulaC12H14ClN3O4
Molecular Weight299.71 g/mol
Exact Mass299.07
IUPAC Name(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid
SMILESCN(CC(N)=O)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H14ClN3O4/c1-16(6-9(14)17)12(20)15-10(11(18)19)7-4-2-3-5-8(7)13/h2-5,10H,6H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m1/s1
InChIKeyIICXVVACRIXZOD-SNVBAGLBSA-N
XLogP0.59
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107315962
(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid
CID 107316066
(2R)-2-(2-chlorophenyl)-2-[[methyl(prop-2-ynyl)carbamoyl]amino]acetic acid
CID 107316099
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 61198806
(2R)-2-(2-chlorophenyl)-2-[[ethyl(3-hydroxypropyl)carbamoyl]amino]acetic acid
CID 107316130
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid (CID 107315977) is (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid is CN(CC(N)=O)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is IICXVVACRIXZOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14ClN3O4/c1-16(6-9(14)17)12(20)15-10(11(18)19)7-4-2-3-5-8(7)13/h2-5,10H,6H2,1H3,(H2,14,17)(H,15,20)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 299.71 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).