(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid

C15H21NO3 — CID 79011047

IUPAC(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
SMILESCc1ccccc1CCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)14(15(18)19)16-13(17)9-8-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyAOBDQAMACWFHHK-CQSZACIVSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds6

About (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid

(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid (PubChem CID 79011047) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
PubChem CID79011047
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
SMILESCc1ccccc1CCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C15H21NO3/c1-10(2)14(15(18)19)16-13(17)9-8-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t14-/m1/s1
InChIKeyAOBDQAMACWFHHK-CQSZACIVSA-N
XLogP2.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic 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

(2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137608
(2R)-2-[3-(2-chlorophenyl)propanoylamino]-3-methylbutanoic acid
CID 79011146
3-methyl-2-[3-(7-methyl-1H-indol-3-yl)propanoylamino]butanoic acid
CID 119170480
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-(2-methylphenyl)propanamide
CID 76941661
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087
(2S)-3-methyl-2-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 61137299
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
(2S,3S)-2-[3-(2-bromophenyl)propanoylamino]-3-methylpentanoic acid
CID 119193793
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
2-[3-(2-aminophenyl)propanoylamino]-3-methylbutanamide
CID 107329581

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid?
The IUPAC name of (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid (CID 79011047) is (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid is Cc1ccccc1CCC(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid?
The InChIKey is AOBDQAMACWFHHK-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)14(15(18)19)16-13(17)9-8-12-7-5-4-6-11(12)3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid?
(2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid is sourced from PubChem (CID 79011047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).