3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid

C14H23NO3 — CID 112734984

IUPAC3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
SMILESCC1(C)CCCC1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2)7-3-4-10(14)12(16)15-11(13(17)18)8-9-5-6-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCURIEFMFHNLKOL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.18
Rot. Bonds5

About 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid

3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid (PubChem CID 112734984) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
PubChem CID112734984
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid
SMILESCC1(C)CCCC1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C14H23NO3/c1-14(2)7-3-4-10(14)12(16)15-11(13(17)18)8-9-5-6-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCURIEFMFHNLKOL-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic 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 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid (CID 112734984) is 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid is CC1(C)CCCC1C(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
The InChIKey is CURIEFMFHNLKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-14(2)7-3-4-10(14)12(16)15-11(13(17)18)8-9-5-6-9/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2,2-dimethylcyclopentanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 112734984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).