2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

C10H13NO3 — CID 106223865

IUPAC2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESC#CC(CC)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H13NO3/c1-3-6(4-2)11-9(12)7-5-8(7)10(13)14/h1,6-8H,4-5H2,2H3,(H,11,12)(H,13,14)
InChIKeyKKWVNFCZXTZSDU-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.24
Rot. Bonds4

About 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 106223865) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID106223865
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESC#CC(CC)NC(=O)C1CC1C(=O)O
InChIInChI=1S/C10H13NO3/c1-3-6(4-2)11-9(12)7-5-8(7)10(13)14/h1,6-8H,4-5H2,2H3,(H,11,12)(H,13,14)
InChIKeyKKWVNFCZXTZSDU-UHFFFAOYSA-N
XLogP0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic 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 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 106223865) is 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is C#CC(CC)NC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is KKWVNFCZXTZSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-3-6(4-2)11-9(12)7-5-8(7)10(13)14/h1,6-8H,4-5H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106223865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).