4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

C13H24N2O3 — CID 80540703

IUPAC4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1CCCCN1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-11-6-4-5-9-15(11)13(18)14-8-7-10(2)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyQFWFWXJIDCVFPM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds5

About 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid

4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (PubChem CID 80540703) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
PubChem CID80540703
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
SMILESCCC1CCCCN1C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-11-6-4-5-9-15(11)13(18)14-8-7-10(2)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyQFWFWXJIDCVFPM-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
4-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 113441843
2-hydroxy-4-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 114007247
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]-3-methylbutanoic acid
CID 104690867
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
4-[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80540606
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61196765
2-ethyl-N-(methoxymethyl)piperidine-1-carboxamide
CID 108893599

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid (CID 80540703) is 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is CCC1CCCCN1C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
The InChIKey is QFWFWXJIDCVFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11-6-4-5-9-15(11)13(18)14-8-7-10(2)12(16)17/h10-11H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid?
4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).