2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid

C13H24N2O3 — CID 79798379

IUPAC2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1(C(=O)NC(C)(CC)C(=O)O)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-4-12(3,11(17)18)15-10(16)13(5-2)6-8-14-9-7-13/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyILZXDCRKAZREHP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.14
Rot. Bonds5

About 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid

2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 79798379) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
PubChem CID79798379
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1(C(=O)NC(C)(CC)C(=O)O)CCNCC1
InChIInChI=1S/C13H24N2O3/c1-4-12(3,11(17)18)15-10(16)13(5-2)6-8-14-9-7-13/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyILZXDCRKAZREHP-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)piperidine-4-carboxamide
CID 106188179
2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 79799194
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815
3-ethyl-N-(2,4,4-trimethylpentan-2-yl)pyrrolidine-3-carboxamide
CID 55167066
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
4-[(4-ethylpiperidine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66001579
4-ethyl-N-methoxypiperidine-4-carboxamide
CID 64974919
3-ethyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 107865730
4-ethyl-N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63843351
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid (CID 79798379) is 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid is CCC1(C(=O)NC(C)(CC)C(=O)O)CCNCC1.
What is the InChIKey of 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is ILZXDCRKAZREHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-12(3,11(17)18)15-10(16)13(5-2)6-8-14-9-7-13/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid?
2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79798379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).