2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid

C14H22N2O3 — CID 114411790

IUPAC2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CC=CCC2)CCCCC1
InChIInChI=1S/C14H22N2O3/c17-12(18)11-14(7-3-1-4-8-14)15-13(19)16-9-5-2-6-10-16/h2,5H,1,3-4,6-11H2,(H,15,19)(H,17,18)
InChIKeyIEYSBCQKSBBYRM-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.14
Rot. Bonds3

About 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid

2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid (PubChem CID 114411790) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid
PubChem CID114411790
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)N2CC=CCC2)CCCCC1
InChIInChI=1S/C14H22N2O3/c17-12(18)11-14(7-3-1-4-8-14)15-13(19)16-9-5-2-6-10-16/h2,5H,1,3-4,6-11H2,(H,15,19)(H,17,18)
InChIKeyIEYSBCQKSBBYRM-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclobutyl]acetic acid
CID 114411634
2-[1-(piperidine-1-carbonylamino)cyclopentyl]acetic acid
CID 64702189
2-[1-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]cyclohexyl]acetic acid
CID 64701697
2-[1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64701838
2-[1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79845570
2-[1-[(2,6-dimethylmorpholine-4-carbonyl)amino]cyclopentyl]acetic acid
CID 64700428
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclohexyl]acetic acid
CID 64700651
2-[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)cyclobutyl]acetic acid
CID 113335983
2-[1-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79842690
2-[1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonylamino)cyclobutyl]acetic acid
CID 79916518
2-[1-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentyl]acetic acid
CID 64700652
2-[1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 106588104

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid (CID 114411790) is 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)N2CC=CCC2)CCCCC1.
What is the InChIKey of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid?
The InChIKey is IEYSBCQKSBBYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(18)11-14(7-3-1-4-8-14)15-13(19)16-9-5-2-6-10-16/h2,5H,1,3-4,6-11H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid?
2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid has a molecular weight of 266.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dihydro-2H-pyridine-1-carbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 114411790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).