[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid

C14H15F3N2O4 — CID 142710930

IUPAC[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccc(O)cc1F)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C14H15F3N2O4/c15-10-6-9(20)2-1-8(10)5-11(18-13(22)23)12(21)19-4-3-14(16,17)7-19/h1-2,6,11,18,20H,3-5,7H2,(H,22,23)/t11-/m0/s1
InChIKeyPQEQOTNSZPJTEW-NSHDSACASA-N
MW332.28 g/mol
LogP1.58
Rot. Bonds4

About [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid

[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid (PubChem CID 142710930) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid
PubChem CID142710930
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccc(O)cc1F)C(=O)N1CCC(F)(F)C1
InChIInChI=1S/C14H15F3N2O4/c15-10-6-9(20)2-1-8(10)5-11(18-13(22)23)12(21)19-4-3-14(16,17)7-19/h1-2,6,11,18,20H,3-5,7H2,(H,22,23)/t11-/m0/s1
InChIKeyPQEQOTNSZPJTEW-NSHDSACASA-N
XLogP1.58
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic 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 [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid (CID 142710930) is [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid is O=C(O)N[C@@H](Cc1ccc(O)cc1F)C(=O)N1CCC(F)(F)C1.
What is the InChIKey of [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid?
The InChIKey is PQEQOTNSZPJTEW-NSHDSACASA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-10-6-9(20)2-1-8(10)5-11(18-13(22)23)12(21)19-4-3-14(16,17)7-19/h1-2,6,11,18,20H,3-5,7H2,(H,22,23)/t11-/m0/s1.
What are the key properties of [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid?
[(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 332.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-(2-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 142710930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).