(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid

C12H15ClN2O3 — CID 107315159

IUPAC(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(CN)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-7(6-14)11(16)15-10(12(17)18)8-4-2-3-5-9(8)13/h2-5,7,10H,6,14H2,1H3,(H,15,16)(H,17,18)/t7?,10-/m1/s1
InChIKeyAFXXKHXSYMPFRE-OMNKOJBGSA-N
MW270.72 g/mol
LogP1.18
Rot. Bonds5

About (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315159) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315159
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(CN)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-7(6-14)11(16)15-10(12(17)18)8-4-2-3-5-9(8)13/h2-5,7,10H,6,14H2,1H3,(H,15,16)(H,17,18)/t7?,10-/m1/s1
InChIKeyAFXXKHXSYMPFRE-OMNKOJBGSA-N
XLogP1.18
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315289
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetic acid
CID 103871039
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315305
(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144
(2R)-2-(2-chlorophenyl)-2-(3-methylpentanoylamino)acetic acid
CID 107314468
(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-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107315962
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
methyl 2-[(3-amino-2-methylpropanoyl)amino]-2-phenylacetate
CID 62668946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid (CID 107315159) is (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid is CC(CN)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is AFXXKHXSYMPFRE-OMNKOJBGSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-7(6-14)11(16)15-10(12(17)18)8-4-2-3-5-9(8)13/h2-5,7,10H,6,14H2,1H3,(H,15,16)(H,17,18)/t7?,10-/m1/s1.
What are the key properties of (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 270.72 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).