2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid

C15H21N3O3 — CID 64700270

IUPAC2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCc2cccnc2)CCCC1
InChIInChI=1S/C15H21N3O3/c19-13(20)10-15(6-1-2-7-15)18-14(21)17-9-5-12-4-3-8-16-11-12/h3-4,8,11H,1-2,5-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyZGCHELLNZYQJRQ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.71
Rot. Bonds6

About 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64700270) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64700270
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCCc2cccnc2)CCCC1
InChIInChI=1S/C15H21N3O3/c19-13(20)10-15(6-1-2-7-15)18-14(21)17-9-5-12-4-3-8-16-11-12/h3-4,8,11H,1-2,5-7,9-10H2,(H,19,20)(H2,17,18,21)
InChIKeyZGCHELLNZYQJRQ-UHFFFAOYSA-N
XLogP1.71
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
1-(2-phenylethyl)-3-(pyridin-3-ylmethyl)urea
CID 38157149
4-oxo-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 60914981
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
2-[1-[(3-fluorophenyl)methylcarbamoylamino]cyclopentyl]acetic acid
CID 64701035
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
1-(2-hydroxycyclohexyl)-3-(2-pyridin-3-ylethyl)urea
CID 110933231
2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid
CID 64699566
2-[carboxymethyl(2-pyridin-3-ylethylcarbamoyl)amino]acetic acid
CID 63645112
4-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61204419
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid (CID 64700270) is 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)NCCc2cccnc2)CCCC1.
What is the InChIKey of 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is ZGCHELLNZYQJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-13(20)10-15(6-1-2-7-15)18-14(21)17-9-5-12-4-3-8-16-11-12/h3-4,8,11H,1-2,5-7,9-10H2,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-pyridin-3-ylethylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64700270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).