3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid

C14H15F2NO3 — CID 84589132

IUPAC3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC1
InChIInChI=1S/C14H15F2NO3/c15-11-4-1-9(7-12(11)16)8-17(6-5-13(18)19)14(20)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,18,19)
InChIKeyXVVPDOSFQPCRGF-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.18
Rot. Bonds6

About 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid

3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid (PubChem CID 84589132) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid
PubChem CID84589132
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC1
InChIInChI=1S/C14H15F2NO3/c15-11-4-1-9(7-12(11)16)8-17(6-5-13(18)19)14(20)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,18,19)
InChIKeyXVVPDOSFQPCRGF-UHFFFAOYSA-N
XLogP2.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]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-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid (CID 84589132) is 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid is O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC1.
What is the InChIKey of 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid?
The InChIKey is XVVPDOSFQPCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-11-4-1-9(7-12(11)16)8-17(6-5-13(18)19)14(20)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,18,19).
What are the key properties of 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid?
3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid has a molecular weight of 283.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropanecarbonyl-[(3,4-difluorophenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 84589132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).