(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid

C13H17ClN2O3 — CID 107315289

IUPAC(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(CCN)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8(6-7-15)12(17)16-11(13(18)19)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)(H,18,19)/t8?,11-/m1/s1
InChIKeyOBDMVHFWXLJFIS-QHDYGNBISA-N
MW284.74 g/mol
LogP1.57
Rot. Bonds6

About (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid

(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid (PubChem CID 107315289) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
PubChem CID107315289
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid
SMILESCC(CCN)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H17ClN2O3/c1-8(6-7-15)12(17)16-11(13(18)19)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)(H,18,19)/t8?,11-/m1/s1
InChIKeyOBDMVHFWXLJFIS-QHDYGNBISA-N
XLogP1.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-amino-2-methylpropanoyl)amino]-2-(2-chlorophenyl)acetic acid
CID 107315159
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315217
(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-2-(2-chlorophenyl)acetic acid
CID 107315305
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
(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
4-amino-2-methyl-N-(4-phenylbutan-2-yl)butanamide
CID 80543602
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-(2-chlorophenyl)-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 107315962
4-amino-2-methyl-N-(2-methyl-1-phenylpropyl)butanamide
CID 80543438

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The IUPAC name of (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid (CID 107315289) is (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The canonical SMILES for (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid is CC(CCN)C(=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid?
The InChIKey is OBDMVHFWXLJFIS-QHDYGNBISA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(6-7-15)12(17)16-11(13(18)19)9-4-2-3-5-10(9)14/h2-5,8,11H,6-7,15H2,1H3,(H,16,17)(H,18,19)/t8?,11-/m1/s1.
What are the key properties of (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid?
(2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid has a molecular weight of 284.74 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-amino-2-methylbutanoyl)amino]-2-(2-chlorophenyl)acetic acid is sourced from PubChem (CID 107315289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).