2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid

C14H17F2NO3 — CID 43803407

IUPAC2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1OC(F)F)N1CCCC1
InChIInChI=1S/C14H17F2NO3/c1-14(12(18)19,17-8-4-5-9-17)10-6-2-3-7-11(10)20-13(15)16/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyKBMLOFSEFRBEBE-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.68
Rot. Bonds5

About 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid

2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid (PubChem CID 43803407) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid
PubChem CID43803407
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid
SMILESCC(C(=O)O)(c1ccccc1OC(F)F)N1CCCC1
InChIInChI=1S/C14H17F2NO3/c1-14(12(18)19,17-8-4-5-9-17)10-6-2-3-7-11(10)20-13(15)16/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyKBMLOFSEFRBEBE-UHFFFAOYSA-N
XLogP2.68
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-2-pyrrolidin-1-ylpropanoic acid
CID 43803468
2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
CID 43803066
2-phenyl-2-piperidin-1-ylpropanoic acid
CID 43803809
2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide
CID 54918576
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
3-(azepan-1-yl)-3-(2-methoxyphenyl)butanoic acid
CID 64527131
2-(azepan-1-yl)-2-(2,4-dichlorophenyl)propanoic acid
CID 61058559
2-[cyclopropyl(phenylmethoxycarbonyl)amino]-2-[2-(difluoromethoxy)phenyl]propanoic acid
CID 113235809
2-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 61057480
2-(cyclohexylamino)-2-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 61045823
2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
CID 65060590

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid (CID 43803407) is 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid is CC(C(=O)O)(c1ccccc1OC(F)F)N1CCCC1.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid?
The InChIKey is KBMLOFSEFRBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-14(12(18)19,17-8-4-5-9-17)10-6-2-3-7-11(10)20-13(15)16/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid?
2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid has a molecular weight of 285.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 43803407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).