2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C14H17ClN2O3 — CID 103094005

IUPAC2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ncccc2Cl)CCCC1
InChIInChI=1S/C14H17ClN2O3/c15-10-4-3-7-16-13(10)17-11(18)8-14(9-12(19)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,19,20)(H,16,17,18)
InChIKeyACQHUFLCPACACV-UHFFFAOYSA-N
MW296.75 g/mol
LogP3.10
Rot. Bonds5

About 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 103094005) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID103094005
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ncccc2Cl)CCCC1
InChIInChI=1S/C14H17ClN2O3/c15-10-4-3-7-16-13(10)17-11(18)8-14(9-12(19)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,19,20)(H,16,17,18)
InChIKeyACQHUFLCPACACV-UHFFFAOYSA-N
XLogP3.10
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-oxo-2-(pyridazin-3-ylamino)ethyl]cyclopentyl]acetic acid
CID 116786341
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 2738302
2-[1-[2-(4-chloro-3-methoxycarbonylanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 56807913
2-[1-[2-(5-chloro-2-hydroxyanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 18877711
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032
2-[1-[2-(2-fluoroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 60662542
2-[1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentyl]acetic acid
CID 51037570
2-[1-[2-[(4-ethyl-2-pyridinyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 2738329
2-[1-[2-(2-aminoanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 61403615
2-[1-[2-(2-bromo-5-chloroanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 81260207

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 103094005) is 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ncccc2Cl)CCCC1.
What is the InChIKey of 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is ACQHUFLCPACACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-10-4-3-7-16-13(10)17-11(18)8-14(9-12(19)20)5-1-2-6-14/h3-4,7H,1-2,5-6,8-9H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(3-chloro-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 103094005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).