(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid

C10H11F2NO3 — CID 11736387

IUPAC(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](N)C(F)(F)C(=O)O)cc1
InChIInChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyLSCGPDBHPYAPAB-MRVPVSSYSA-N
MW231.20 g/mol
LogP1.41
Rot. Bonds4

About (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid

(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid (PubChem CID 11736387) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
PubChem CID11736387
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid
SMILESCOc1ccc([C@@H](N)C(F)(F)C(=O)O)cc1
InChIInChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyLSCGPDBHPYAPAB-MRVPVSSYSA-N
XLogP1.41
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid (CID 11736387) is (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid is COc1ccc([C@@H](N)C(F)(F)C(=O)O)cc1.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid?
The InChIKey is LSCGPDBHPYAPAB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-16-7-4-2-6(3-5-7)8(13)10(11,12)9(14)15/h2-5,8H,13H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid?
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid has a molecular weight of 231.20 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propanoic acid is sourced from PubChem (CID 11736387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).