3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H14ClNO4 — CID 56951740

IUPAC3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cc(Cl)ccc2O)C1
InChIInChI=1S/C13H14ClNO4/c14-9-3-4-11(16)10(6-9)15-12(17)7-1-2-8(5-7)13(18)19/h3-4,6-8,16H,1-2,5H2,(H,15,17)(H,18,19)
InChIKeySXCAKNXGVNRUFR-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.48
Rot. Bonds3

About 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 56951740) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID56951740
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2cc(Cl)ccc2O)C1
InChIInChI=1S/C13H14ClNO4/c14-9-3-4-11(16)10(6-9)15-12(17)7-1-2-8(5-7)13(18)19/h3-4,6-8,16H,1-2,5H2,(H,15,17)(H,18,19)
InChIKeySXCAKNXGVNRUFR-UHFFFAOYSA-N
XLogP2.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 56951740) is 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2cc(Cl)ccc2O)C1.
What is the InChIKey of 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is SXCAKNXGVNRUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-3-4-11(16)10(6-9)15-12(17)7-1-2-8(5-7)13(18)19/h3-4,6-8,16H,1-2,5H2,(H,15,17)(H,18,19).
What are the key properties of 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-hydroxyphenyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 56951740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).