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

C15H26N2O3 — CID 114429129

IUPAC2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid
SMILESCCC1CCNC(C(=O)NC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-11-5-8-16-12(9-11)14(20)17-15(10-13(18)19)6-3-4-7-15/h11-12,16H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPDXBODHBTLDPHQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.67
Rot. Bonds5

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

2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid (PubChem CID 114429129) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid
PubChem CID114429129
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid
SMILESCCC1CCNC(C(=O)NC2(CC(=O)O)CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-2-11-5-8-16-12(9-11)14(20)17-15(10-13(18)19)6-3-4-7-15/h11-12,16H,2-10H2,1H3,(H,17,20)(H,18,19)
InChIKeyPDXBODHBTLDPHQ-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexyl]acetic acid
CID 104914061
2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
CID 82917741
3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114429130
4-ethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 114429304
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid
CID 114428646
4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114428891
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
4-[[(4-ethylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 114429382
4-ethyl-N-propan-2-ylsulfonylpiperidine-2-carboxamide
CID 103307962

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid (CID 114429129) is 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid is CCC1CCNC(C(=O)NC2(CC(=O)O)CCCC2)C1.
What is the InChIKey of 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid?
The InChIKey is PDXBODHBTLDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-11-5-8-16-12(9-11)14(20)17-15(10-13(18)19)6-3-4-7-15/h11-12,16H,2-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid?
2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 114429129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).