3-acetamido-1-phenylcyclopentane-1-carboxylic acid

C14H17NO3 — CID 650724

IUPAC3-acetamido-1-phenylcyclopentane-1-carboxylic acid
SMILESCC(=O)NC1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-10(16)15-12-7-8-14(9-12,13(17)18)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyBBNRPFXNYBFATO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds3

About 3-acetamido-1-phenylcyclopentane-1-carboxylic acid

3-acetamido-1-phenylcyclopentane-1-carboxylic acid (PubChem CID 650724) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-acetamido-1-phenylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-acetamido-1-phenylcyclopentane-1-carboxylic acid
PubChem CID650724
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-acetamido-1-phenylcyclopentane-1-carboxylic acid
SMILESCC(=O)NC1CCC(C(=O)O)(c2ccccc2)C1
InChIInChI=1S/C14H17NO3/c1-10(16)15-12-7-8-14(9-12,13(17)18)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyBBNRPFXNYBFATO-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
The IUPAC name of 3-acetamido-1-phenylcyclopentane-1-carboxylic acid (CID 650724) is 3-acetamido-1-phenylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3-acetamido-1-phenylcyclopentane-1-carboxylic acid is CC(=O)NC1CCC(C(=O)O)(c2ccccc2)C1.
What is the InChIKey of 3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
The InChIKey is BBNRPFXNYBFATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)15-12-7-8-14(9-12,13(17)18)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-acetamido-1-phenylcyclopentane-1-carboxylic acid?
3-acetamido-1-phenylcyclopentane-1-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-1-phenylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 650724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).