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

C15H17F2NO3 — CID 119202832

IUPAC2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1cccc(F)c1F)C1CC1
InChIInChI=1S/C15H17F2NO3/c1-9(15(20)21)18(11-6-7-11)13(19)8-5-10-3-2-4-12(16)14(10)17/h2-4,9,11H,5-8H2,1H3,(H,20,21)
InChIKeyPYTRQTNAGIBDNG-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.36
Rot. Bonds6

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

2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid (PubChem CID 119202832) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid
PubChem CID119202832
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1cccc(F)c1F)C1CC1
InChIInChI=1S/C15H17F2NO3/c1-9(15(20)21)18(11-6-7-11)13(19)8-5-10-3-2-4-12(16)14(10)17/h2-4,9,11H,5-8H2,1H3,(H,20,21)
InChIKeyPYTRQTNAGIBDNG-UHFFFAOYSA-N
XLogP2.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid (CID 119202832) is 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)CCc1cccc(F)c1F)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid?
The InChIKey is PYTRQTNAGIBDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-9(15(20)21)18(11-6-7-11)13(19)8-5-10-3-2-4-12(16)14(10)17/h2-4,9,11H,5-8H2,1H3,(H,20,21).
What are the key properties of 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid?
2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid has a molecular weight of 297.30 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119202832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).