(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid

C11H16N2O6 — CID 83193700

IUPAC(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C11H16N2O6/c14-8-3-1-6(5-12-8)10(17)13-7(11(18)19)2-4-9(15)16/h6-7H,1-5H2,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t6?,7-/m0/s1
InChIKeyPWQDRDVCMXMTPM-MLWJPKLSSA-N
MW272.26 g/mol
LogP-1.05
Rot. Bonds6

About (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid

(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid (PubChem CID 83193700) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
PubChem CID83193700
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C11H16N2O6/c14-8-3-1-6(5-12-8)10(17)13-7(11(18)19)2-4-9(15)16/h6-7H,1-5H2,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t6?,7-/m0/s1
InChIKeyPWQDRDVCMXMTPM-MLWJPKLSSA-N
XLogP-1.05
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic 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

(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
CID 107831330
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
4-methylsulfonyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193550
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
2-(cyclobutanecarbonylamino)pentanedioic acid
CID 60657073
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
(2S)-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanedioic acid
CID 61153323
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid (CID 83193700) is (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid?
The InChIKey is PWQDRDVCMXMTPM-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H16N2O6/c14-8-3-1-6(5-12-8)10(17)13-7(11(18)19)2-4-9(15)16/h6-7H,1-5H2,(H,12,14)(H,13,17)(H,15,16)(H,18,19)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid?
(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid has a molecular weight of 272.26 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 83193700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).