2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid

C16H18FNO3 — CID 119202970

IUPAC2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)C1CC1c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H18FNO3/c1-9(16(20)21)18(12-6-7-12)15(19)14-8-13(14)10-2-4-11(17)5-3-10/h2-5,9,12-14H,6-8H2,1H3,(H,20,21)
InChIKeyXRZSKQUDWSQPNM-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.39
Rot. Bonds5

About 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid

2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119202970) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119202970
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)C1CC1c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H18FNO3/c1-9(16(20)21)18(12-6-7-12)15(19)14-8-13(14)10-2-4-11(17)5-3-10/h2-5,9,12-14H,6-8H2,1H3,(H,20,21)
InChIKeyXRZSKQUDWSQPNM-UHFFFAOYSA-N
XLogP2.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]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 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid (CID 119202970) is 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)C1CC1c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is XRZSKQUDWSQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-9(16(20)21)18(12-6-7-12)15(19)14-8-13(14)10-2-4-11(17)5-3-10/h2-5,9,12-14H,6-8H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid?
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 291.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119202970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).