1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C13H15ClN2O3 — CID 43579885

IUPAC1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cccnc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-11-9(4-3-7-15-11)16-10(17)8-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyFWEYCVHZXOZNJV-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.71
Rot. Bonds4

About 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43579885) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43579885
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)Nc1cccnc1Cl
InChIInChI=1S/C13H15ClN2O3/c14-11-9(4-3-7-15-11)16-10(17)8-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,16,17)(H,18,19)
InChIKeyFWEYCVHZXOZNJV-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-methyl-3-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79041898
1-[2-[(3-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 63671026
1-[2-[(2-chloropyrimidin-4-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 116794778
1-[2-(4-chloroanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17420083
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
N-(2-chloro-3-pyridinyl)-2-piperidin-1-ium-1-ylacetamide
CID 7784525
1-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 17422094
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
1-[2-[(2-methyl-4-pyridinyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 79235812
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 17479149

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43579885) is 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)Nc1cccnc1Cl.
What is the InChIKey of 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is FWEYCVHZXOZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-11-9(4-3-7-15-11)16-10(17)8-13(12(18)19)5-1-2-6-13/h3-4,7H,1-2,5-6,8H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43579885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).