2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid

C15H20N2O3 — CID 70269620

IUPAC2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
SMILESCC(N[C@H]1CCCN(CC(=O)O)C1=O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)16-13-8-5-9-17(15(13)20)10-14(18)19/h2-4,6-7,11,13,16H,5,8-10H2,1H3,(H,18,19)/t11?,13-/m0/s1
InChIKeyMQDDBSBTFUYLPF-YUZLPWPTSA-N
MW276.34 g/mol
LogP1.41
Rot. Bonds5

About 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid

2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid (PubChem CID 70269620) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
PubChem CID70269620
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid
SMILESCC(N[C@H]1CCCN(CC(=O)O)C1=O)c1ccccc1
InChIInChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)16-13-8-5-9-17(15(13)20)10-14(18)19/h2-4,6-7,11,13,16H,5,8-10H2,1H3,(H,18,19)/t11?,13-/m0/s1
InChIKeyMQDDBSBTFUYLPF-YUZLPWPTSA-N
XLogP1.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]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

2-[[1-(carboxymethyl)-2-oxoazocan-3-yl]amino]-4-phenylbutanoic acid
CID 23322524
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132
2-[2-oxo-3-(2-phenylethylsulfonylamino)piperidin-1-yl]acetic acid
CID 10688512
2-(2-oxo-3-phenylpiperidin-1-yl)acetic acid
CID 67358702
1-(3-fluorophenyl)-3-[[(1S)-1-phenylethyl]amino]piperidin-2-one
CID 138042379
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopiperidin-1-yl]acetic acid
CID 4712604
2-[3-[(2,2-dimethyl-3-phenylpropanoyl)amino]-2-oxoazepan-1-yl]acetic acid
CID 138056043
2-[3-(benzylsulfinylamino)-2-oxoazepan-1-yl]acetic acid
CID 142092504
1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
2-[3-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]-2-oxoazonan-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 23322742
2-[(3R)-3-[(4-methylphenyl)methoxycarbonylamino]-2-oxopiperidin-1-yl]acetic acid
CID 142159179
2-[3-(dimethylcarbamoylamino)-2-oxoazepan-1-yl]acetic acid
CID 22945879

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid (CID 70269620) is 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid is CC(N[C@H]1CCCN(CC(=O)O)C1=O)c1ccccc1.
What is the InChIKey of 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid?
The InChIKey is MQDDBSBTFUYLPF-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(12-6-3-2-4-7-12)16-13-8-5-9-17(15(13)20)10-14(18)19/h2-4,6-7,11,13,16H,5,8-10H2,1H3,(H,18,19)/t11?,13-/m0/s1.
What are the key properties of 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid?
2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2-oxo-3-(1-phenylethylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 70269620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).