(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid

C8H14N2O3 — CID 138475703

IUPAC(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
SMILESN[C@@H](CN1CCC(=O)CC1)C(=O)O
InChIInChI=1S/C8H14N2O3/c9-7(8(12)13)5-10-3-1-6(11)2-4-10/h7H,1-5,9H2,(H,12,13)/t7-/m0/s1
InChIKeyPKWQNVGYKGYHKL-ZETCQYMHSA-N
MW186.21 g/mol
LogP-0.94
Rot. Bonds3

About (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid

(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid (PubChem CID 138475703) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
PubChem CID138475703
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid
SMILESN[C@@H](CN1CCC(=O)CC1)C(=O)O
InChIInChI=1S/C8H14N2O3/c9-7(8(12)13)5-10-3-1-6(11)2-4-10/h7H,1-5,9H2,(H,12,13)/t7-/m0/s1
InChIKeyPKWQNVGYKGYHKL-ZETCQYMHSA-N
XLogP-0.94
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic 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-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
2-amino-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoic acid
CID 65442051
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
2-(4-oxopiperidin-1-yl)acetamide
CID 24696767
1-(3-chloro-2-hydroxypropyl)piperidin-4-one
CID 130130972
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
CID 57350456
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2R)-2-amino-3-[4-(3-hydroxyphenyl)piperidin-1-yl]propanoic acid
CID 177277698
2-amino-3-(3-carbamoylpiperidin-1-yl)propanoic acid
CID 65443827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid (CID 138475703) is (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid is N[C@@H](CN1CCC(=O)CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid?
The InChIKey is PKWQNVGYKGYHKL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-7(8(12)13)5-10-3-1-6(11)2-4-10/h7H,1-5,9H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid?
(2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 138475703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).