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

C11H18N2O4 — CID 83193576

IUPAC2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-11(2,10(16)17)13-9(15)7-4-5-8(14)12-6-7/h7H,3-6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyVVTHBKKAEXIIQD-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds4

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

2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 83193576) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
PubChem CID83193576
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
SMILESCCC(C)(NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C11H18N2O4/c1-3-11(2,10(16)17)13-9(15)7-4-5-8(14)12-6-7/h7H,3-6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyVVTHBKKAEXIIQD-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193717
2,2,3-trimethyl-3-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83191699
N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
2-methyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79798226
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxopiperidine-3-carboxamide
CID 81486889
N-(3-ethylpentan-2-yl)-6-oxopiperidine-3-carboxamide
CID 78952778
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
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
2-[[(6-oxopiperidine-3-carbonyl)amino]methyl]pentanoic acid
CID 83193569
N-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 78981963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid (CID 83193576) is 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is CCC(C)(NC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is VVTHBKKAEXIIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-11(2,10(16)17)13-9(15)7-4-5-8(14)12-6-7/h7H,3-6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid?
2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 83193576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).