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

C14H26N2O3 — CID 114428891

IUPAC4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCNC(C(=O)NC(C)(C)CCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10-6-8-15-11(9-10)13(19)16-14(2,3)7-5-12(17)18/h10-11,15H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPBFRBCZGLWOPIJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.52
Rot. Bonds6

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

4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 114428891) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID114428891
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCCC1CCNC(C(=O)NC(C)(C)CCC(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-4-10-6-8-15-11(9-10)13(19)16-14(2,3)7-5-12(17)18/h10-11,15H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyPBFRBCZGLWOPIJ-UHFFFAOYSA-N
XLogP1.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid (CID 114428891) is 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid is CCC1CCNC(C(=O)NC(C)(C)CCC(=O)O)C1.
What is the InChIKey of 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is PBFRBCZGLWOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-10-6-8-15-11(9-10)13(19)16-14(2,3)7-5-12(17)18/h10-11,15H,4-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid?
4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 114428891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).