methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate

C11H11F2NO4 — CID 9277581

IUPACmethyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO4/c1-18-11(17)9(5-15)14-10(16)6-2-3-7(12)8(13)4-6/h2-4,9,15H,5H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyWTYFOZCEYSLPGW-SECBINFHSA-N
MW259.21 g/mol
LogP0.23
Rot. Bonds4

About methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate

methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate (PubChem CID 9277581) has the molecular formula C11H11F2NO4 and a molecular weight of 259.21 g/mol. Its IUPAC name is methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
PubChem CID9277581
Molecular FormulaC11H11F2NO4
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Namemethyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2NO4/c1-18-11(17)9(5-15)14-10(16)6-2-3-7(12)8(13)4-6/h2-4,9,15H,5H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyWTYFOZCEYSLPGW-SECBINFHSA-N
XLogP0.23
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate 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

methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
3,4-difluoro-N-(1-hydroxy-3-methoxypropan-2-yl)benzamide
CID 114078926
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
methyl 3-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]propanoate
CID 43407091
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
(2S)-2-[(3,4-difluorobenzoyl)amino]butanoic acid
CID 42255214
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
CID 55230690
2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712
methyl (2R)-3-hydroxy-2-[[4-prop-2-enoxy-3-(trifluoromethyl)benzoyl]amino]propanoate
CID 11013454

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate (CID 9277581) is methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate is COC(=O)[C@@H](CO)NC(=O)c1ccc(F)c(F)c1.
What is the InChIKey of methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate?
The InChIKey is WTYFOZCEYSLPGW-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F2NO4/c1-18-11(17)9(5-15)14-10(16)6-2-3-7(12)8(13)4-6/h2-4,9,15H,5H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate?
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate has a molecular weight of 259.21 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 9277581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).