2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid

C12H14ClF2NO3 — CID 135175221

IUPAC2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid
SMILESCC(C)Oc1cc(C(F)(F)C(N)C(=O)O)ccc1Cl
InChIInChI=1S/C12H14ClF2NO3/c1-6(2)19-9-5-7(3-4-8(9)13)12(14,15)10(16)11(17)18/h3-6,10H,16H2,1-2H3,(H,17,18)
InChIKeyUOGZFXPJHDJNMJ-UHFFFAOYSA-N
MW293.70 g/mol
LogP2.63
Rot. Bonds5

About 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid

2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid (PubChem CID 135175221) has the molecular formula C12H14ClF2NO3 and a molecular weight of 293.70 g/mol. Its IUPAC name is 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid.

Molecular Properties

Compound Name2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid
PubChem CID135175221
Molecular FormulaC12H14ClF2NO3
Molecular Weight293.70 g/mol
Exact Mass293.06
IUPAC Name2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid
SMILESCC(C)Oc1cc(C(F)(F)C(N)C(=O)O)ccc1Cl
InChIInChI=1S/C12H14ClF2NO3/c1-6(2)19-9-5-7(3-4-8(9)13)12(14,15)10(16)11(17)18/h3-6,10H,16H2,1-2H3,(H,17,18)
InChIKeyUOGZFXPJHDJNMJ-UHFFFAOYSA-N
XLogP2.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.70
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic 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-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid?
The IUPAC name of 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid (CID 135175221) is 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid.
What is the SMILES notation for 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid?
The canonical SMILES for 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid is CC(C)Oc1cc(C(F)(F)C(N)C(=O)O)ccc1Cl.
What is the InChIKey of 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid?
The InChIKey is UOGZFXPJHDJNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO3/c1-6(2)19-9-5-7(3-4-8(9)13)12(14,15)10(16)11(17)18/h3-6,10H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid?
2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid has a molecular weight of 293.70 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-chloro-3-propan-2-yloxyphenyl)-3,3-difluoropropanoic acid is sourced from PubChem (CID 135175221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).