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

C12H20N2O4 — CID 83193569

IUPAC2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-3-9(12(17)18)7-14-11(16)8-4-5-10(15)13-6-8/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyUYSSVODNKFJAQN-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.13
Rot. Bonds6

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

2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 83193569) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID83193569
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-3-9(12(17)18)7-14-11(16)8-4-5-10(15)13-6-8/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyUYSSVODNKFJAQN-UHFFFAOYSA-N
XLogP0.13
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83192606
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
2-[[(5-oxopyrrolidin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65226837
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712
N-(2-butoxyethyl)-6-oxopiperidine-3-carboxamide
CID 78978293
4-methylsulfonyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193550
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid (CID 83193569) is 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is UYSSVODNKFJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-3-9(12(17)18)7-14-11(16)8-4-5-10(15)13-6-8/h8-9H,2-7H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid?
2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 83193569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).