3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

C14H19N3O3 — CID 66030429

IUPAC3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)C1)c1ccccn1
InChIInChI=1S/C14H19N3O3/c1-9(12-4-2-3-7-15-12)16-14(20)17-11-6-5-10(8-11)13(18)19/h2-4,7,9-11H,5-6,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTWWOKXLSRDUTDW-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.70
Rot. Bonds4

About 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid

3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030429) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030429
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1CCC(C(=O)O)C1)c1ccccn1
InChIInChI=1S/C14H19N3O3/c1-9(12-4-2-3-7-15-12)16-14(20)17-11-6-5-10(8-11)13(18)19/h2-4,7,9-11H,5-6,8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTWWOKXLSRDUTDW-UHFFFAOYSA-N
XLogP1.70
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94148998
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36970112
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033016
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
3-(1-pyridin-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529021
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 66030429) is 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is CC(NC(=O)NC1CCC(C(=O)O)C1)c1ccccn1.
What is the InChIKey of 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is TWWOKXLSRDUTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(12-4-2-3-7-15-12)16-14(20)17-11-6-5-10(8-11)13(18)19/h2-4,7,9-11H,5-6,8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid?
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).