cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H13ClN2O3 — CID 114092714

IUPACcis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H13ClN2O3/c13-10-6-7(4-5-14-10)15-11(16)8-2-1-3-9(8)12(17)18/h4-6,8-9H,1-3H2,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1
InChIKeySRZFSPYOPZZBLS-BDAKNGLRSA-N
MW268.70 g/mol
LogP2.17
Rot. Bonds3

About cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114092714) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114092714
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Namecis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1C(=O)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H13ClN2O3/c13-10-6-7(4-5-14-10)15-11(16)8-2-1-3-9(8)12(17)18/h4-6,8-9H,1-3H2,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1
InChIKeySRZFSPYOPZZBLS-BDAKNGLRSA-N
XLogP2.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.17
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

trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
2-[(3,5-dichlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 75115965
1-(2-chloro-4-pyridinyl)-3-cyclobutylurea
CID 14625236
cis-(1S,2R)-2-[(4-bromo-3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093284
trans-(1S,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 888025
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
trans-(1S,2S)-2-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 40611123
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
2-[(4-methylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113360982
trans-(1S,2S)-2-[(3-acetamidophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 792081

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114092714) is cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CCC[C@H]1C(=O)Nc1ccnc(Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SRZFSPYOPZZBLS-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-10-6-7(4-5-14-10)15-11(16)8-2-1-3-9(8)12(17)18/h4-6,8-9H,1-3H2,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 268.70 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2-chloro-4-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).