(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate

C14H18NO3- — CID 7321191

IUPAC(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
SMILESC[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-10(9-14(17)18)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-,11+/m1/s1
InChIKeyIFZUSRLWTZPENL-MNOVXSKESA-M
MW248.30 g/mol
LogP1.03
Rot. Bonds6

About (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate

(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate (PubChem CID 7321191) has the molecular formula C14H18NO3- and a molecular weight of 248.30 g/mol. Its IUPAC name is (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate.

Molecular Properties

Compound Name(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
PubChem CID7321191
Molecular FormulaC14H18NO3-
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
SMILESC[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-10(9-14(17)18)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-,11+/m1/s1
InChIKeyIFZUSRLWTZPENL-MNOVXSKESA-M
XLogP1.03
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate 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

4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
(3S)-3-methyl-4-nitro-N-[(1S)-1-phenylethyl]butanamide
CID 143172881
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
(3S)-3-phenylbutanoate
CID 6950118
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
5-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351309
3-methyl-5-oxo-5-(1-pyridin-4-ylethylamino)pentanoic acid
CID 62966418
5-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-methyl-5-oxopentanoic acid
CID 81351821
2-amino-N-(1-phenylethyl)acetamide
CID 10631169

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate?
The IUPAC name of (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate (CID 7321191) is (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate.
What is the SMILES notation for (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate?
The canonical SMILES for (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate is C[C@@H](CC(=O)[O-])CC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate?
The InChIKey is IFZUSRLWTZPENL-MNOVXSKESA-M. The full InChI is InChI=1S/C14H19NO3/c1-10(9-14(17)18)8-13(16)15-11(2)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,15,16)(H,17,18)/p-1/t10-,11+/m1/s1.
What are the key properties of (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate?
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate has a molecular weight of 248.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate is sourced from PubChem (CID 7321191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).