2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid

C11H11F2NO3 — CID 82815283

IUPAC2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(F)c(C(=O)NC(C)C(=O)O)c1F
InChIInChI=1S/C11H11F2NO3/c1-5-3-4-7(12)8(9(5)13)10(15)14-6(2)11(16)17/h3-4,6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyYMSZZUDAOXKSRD-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.48
Rot. Bonds3

About 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid

2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid (PubChem CID 82815283) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
PubChem CID82815283
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid
SMILESCc1ccc(F)c(C(=O)NC(C)C(=O)O)c1F
InChIInChI=1S/C11H11F2NO3/c1-5-3-4-7(12)8(9(5)13)10(15)14-6(2)11(16)17/h3-4,6H,1-2H3,(H,14,15)(H,16,17)
InChIKeyYMSZZUDAOXKSRD-UHFFFAOYSA-N
XLogP1.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-difluoro-3-methyl-N-(3-oxobutan-2-yl)benzamide
CID 82814887
(2S,3R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965038
(2S)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82815432
(2R)-2-[(2,6-difluoro-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926816
2,6-difluoro-N-(5-hydroxypentan-2-yl)-3-methylbenzamide
CID 82816389
(2S)-2-[(2,6-difluoro-3-methylphenyl)carbamoylamino]propanoic acid
CID 82819574
(2S)-2-[(3,6-difluoro-2-methoxybenzoyl)amino]propanoic acid
CID 119943315
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553
N-(1-bromo-4-methylpentan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82817962
methyl 2-[(2,6-difluoro-3-methylbenzoyl)amino]-4-methylpentanoate
CID 82799828
(2S)-2-[(3,4-difluorobenzoyl)amino]propanoic acid
CID 42254634

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid (CID 82815283) is 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid is Cc1ccc(F)c(C(=O)NC(C)C(=O)O)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is YMSZZUDAOXKSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-5-3-4-7(12)8(9(5)13)10(15)14-6(2)11(16)17/h3-4,6H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid?
2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 243.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 82815283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).