(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid

C10H9F2NO3 — CID 106529006

IUPAC(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO3/c11-7-1-6(2-8(12)3-7)9(13-5-14)4-10(15)16/h1-3,5,9H,4H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyVCXVPKNDQGRZPG-SECBINFHSA-N
MW229.18 g/mol
LogP1.23
Rot. Bonds5

About (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid

(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid (PubChem CID 106529006) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid.

Molecular Properties

Compound Name(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid
PubChem CID106529006
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Name(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO3/c11-7-1-6(2-8(12)3-7)9(13-5-14)4-10(15)16/h1-3,5,9H,4H2,(H,13,14)(H,15,16)/t9-/m1/s1
InChIKeyVCXVPKNDQGRZPG-SECBINFHSA-N
XLogP1.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-fluoro-3-methylphenyl)-3-formamidopropanoic acid
CID 78961833
(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
CID 78961882
3-(3,5-difluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10542305
(3R)-3-(3-bromo-4-methylphenyl)-3-formamidopropanoic acid
CID 105405245
(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
3-acetamido-3-(3-chloro-5-fluorophenyl)propanoic acid
CID 114453726
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
(3S)-3-(3-bromo-4-methoxyphenyl)-3-formamidopropanoic acid
CID 78961802
(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
CID 105378957
3-(2,3-dihydro-1-benzofuran-6-yl)-3-formamidopropanoic acid
CID 165121477
3-(3,5-difluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093608

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid?
The IUPAC name of (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid (CID 106529006) is (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid.
What is the SMILES notation for (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid?
The canonical SMILES for (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid is O=CN[C@H](CC(=O)O)c1cc(F)cc(F)c1.
What is the InChIKey of (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid?
The InChIKey is VCXVPKNDQGRZPG-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F2NO3/c11-7-1-6(2-8(12)3-7)9(13-5-14)4-10(15)16/h1-3,5,9H,4H2,(H,13,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid?
(3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid has a molecular weight of 229.18 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,5-difluorophenyl)-3-formamidopropanoic acid is sourced from PubChem (CID 106529006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).