methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate

C14H15ClN2O3 — CID 54303079

IUPACmethyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate
SMILESCOC(=O)[C@@](C)(CCC#N)NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-14(8-5-9-16,13(19)20-2)17-12(18)10-6-3-4-7-11(10)15/h3-4,6-7H,5,8H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeySFPJHXZVNIVXLT-CQSZACIVSA-N
MW294.74 g/mol
LogP2.31
Rot. Bonds5

About methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate

methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate (PubChem CID 54303079) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate
PubChem CID54303079
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Namemethyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate
SMILESCOC(=O)[C@@](C)(CCC#N)NC(=O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O3/c1-14(8-5-9-16,13(19)20-2)17-12(18)10-6-3-4-7-11(10)15/h3-4,6-7H,5,8H2,1-2H3,(H,17,18)/t14-/m1/s1
InChIKeySFPJHXZVNIVXLT-CQSZACIVSA-N
XLogP2.31
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate 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

methyl (2R)-2-[(2-chlorobenzoyl)amino]-2-methyl-3-phenoxypropanoate
CID 95332256
methyl 2-amino-2-(2-chlorophenyl)-4-cyanobutanoate
CID 71181940
methyl (2R)-4-cyano-2-[(3-fluoro-4-methylbenzoyl)amino]-2-methylbutanoate
CID 154198590
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
2-chloro-N-(2-cyano-4-methylpentan-2-yl)benzamide
CID 110187726
2-chloro-N-[1-cyano-1-(4-methoxyphenyl)ethyl]benzamide
CID 139676098
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
methyl (2R)-2-[(2-bromobenzoyl)amino]-2-methylbutanoate
CID 94797947
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
methyl (2R)-2-[(2,4-dichlorobenzoyl)amino]-3-methoxy-2-methylpropanoate
CID 96539434
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-[(2-iodo-3-methylbenzoyl)amino]-2-methylpentanoate
CID 47350798

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate?
The IUPAC name of methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate (CID 54303079) is methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate.
What is the SMILES notation for methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate?
The canonical SMILES for methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate is COC(=O)[C@@](C)(CCC#N)NC(=O)c1ccccc1Cl.
What is the InChIKey of methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate?
The InChIKey is SFPJHXZVNIVXLT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-14(8-5-9-16,13(19)20-2)17-12(18)10-6-3-4-7-11(10)15/h3-4,6-7H,5,8H2,1-2H3,(H,17,18)/t14-/m1/s1.
What are the key properties of methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate?
methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate has a molecular weight of 294.74 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2-chlorobenzoyl)amino]-4-cyano-2-methylbutanoate is sourced from PubChem (CID 54303079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).