cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid

C16H21NO5 — CID 161352808

IUPACcyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
SMILESCC(NC=O)(C(=O)O)c1ccccc1.O=C(O)C1CCCC1
InChIInChI=1S/C10H11NO3.C6H10O2/c1-10(9(13)14,11-7-12)8-5-3-2-4-6-8;7-6(8)5-3-1-2-4-5/h2-7H,1H3,(H,11,12)(H,13,14);5H,1-4H2,(H,7,8)
InChIKeyVODJTKWMIHNFLW-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.99
Rot. Bonds5

About cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid

cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid (PubChem CID 161352808) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
PubChem CID161352808
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namecyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid
SMILESCC(NC=O)(C(=O)O)c1ccccc1.O=C(O)C1CCCC1
InChIInChI=1S/C10H11NO3.C6H10O2/c1-10(9(13)14,11-7-12)8-5-3-2-4-6-8;7-6(8)5-3-1-2-4-5/h2-7H,1H3,(H,11,12)(H,13,14);5H,1-4H2,(H,7,8)
InChIKeyVODJTKWMIHNFLW-UHFFFAOYSA-N
XLogP1.99
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid?
The IUPAC name of cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid (CID 161352808) is cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid.
What is the SMILES notation for cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid?
The canonical SMILES for cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid is CC(NC=O)(C(=O)O)c1ccccc1.O=C(O)C1CCCC1.
What is the InChIKey of cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid?
The InChIKey is VODJTKWMIHNFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.C6H10O2/c1-10(9(13)14,11-7-12)8-5-3-2-4-6-8;7-6(8)5-3-1-2-4-5/h2-7H,1H3,(H,11,12)(H,13,14);5H,1-4H2,(H,7,8).
What are the key properties of cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid?
cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid has a molecular weight of 307.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;2-formamido-2-phenylpropanoic acid is sourced from PubChem (CID 161352808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).