4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid

C13H22N2O4 — CID 83192606

IUPAC4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)5-10(13(18)19)7-15-12(17)9-3-4-11(16)14-6-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFWJRXMSBSXACPL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.38
Rot. Bonds6

About 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid

4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 83192606) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID83192606
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCC(C)CC(CNC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C13H22N2O4/c1-8(2)5-10(13(18)19)7-15-12(17)9-3-4-11(16)14-6-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFWJRXMSBSXACPL-UHFFFAOYSA-N
XLogP0.38
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83193569
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2,2-dicyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036656
N-(2-ethoxypropyl)-6-oxopiperidine-3-carboxamide
CID 115649057
(2R)-4-methyl-2-[[[(4R)-1-methyl-2-oxopiperidine-4-carbonyl]amino]methyl]pentanoic acid
CID 124610332
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-6-oxopiperidine-3-carboxamide
CID 111422615
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-(2-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 83192944

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid (CID 83192606) is 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid is CC(C)CC(CNC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is FWJRXMSBSXACPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-8(2)5-10(13(18)19)7-15-12(17)9-3-4-11(16)14-6-9/h8-10H,3-7H2,1-2H3,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 83192606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).