[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate

C13H17NO3 — CID 51514544

IUPAC[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)O[C@H](C)C(N)=O)c1
InChIInChI=1S/C13H17NO3/c1-9-4-3-5-11(8-9)6-7-12(15)17-10(2)13(14)16/h3-5,8,10H,6-7H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyZYWFKKMLEHGHRC-SNVBAGLBSA-N
MW235.28 g/mol
LogP1.34
Rot. Bonds5

About [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate

[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate (PubChem CID 51514544) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate
PubChem CID51514544
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)O[C@H](C)C(N)=O)c1
InChIInChI=1S/C13H17NO3/c1-9-4-3-5-11(8-9)6-7-12(15)17-10(2)13(14)16/h3-5,8,10H,6-7H2,1-2H3,(H2,14,16)/t10-/m1/s1
InChIKeyZYWFKKMLEHGHRC-SNVBAGLBSA-N
XLogP1.34
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate 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

ethyl 2-(3-phenylpropanoyloxy)propanoate
CID 13096485
ethyl 2-acetyloxy-5-(3-methylphenyl)-3-oxopentanoate
CID 131722513
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
[(2R)-1-amino-1-oxopropan-2-yl] 2-(3-fluorophenyl)acetate
CID 8590359
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
[(2R)-1-amino-1-oxopropan-2-yl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856468
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
4-(3-methylphenyl)-2-oxobutanoic acid
CID 82185755
ethyl 3-(3-propan-2-ylphenyl)propanoate
CID 59134593
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
[(2S)-1-amino-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 7840611
5-methyl-1-(3-methylphenyl)heptan-3-one
CID 105091725

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate?
The IUPAC name of [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate (CID 51514544) is [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate.
What is the SMILES notation for [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate?
The canonical SMILES for [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate is Cc1cccc(CCC(=O)O[C@H](C)C(N)=O)c1.
What is the InChIKey of [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate?
The InChIKey is ZYWFKKMLEHGHRC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-4-3-5-11(8-9)6-7-12(15)17-10(2)13(14)16/h3-5,8,10H,6-7H2,1-2H3,(H2,14,16)/t10-/m1/s1.
What are the key properties of [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate?
[(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-amino-1-oxopropan-2-yl] 3-(3-methylphenyl)propanoate is sourced from PubChem (CID 51514544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).