(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid

C13H16FNO4 — CID 79010897

IUPAC(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
SMILESCOc1cccc(F)c1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C13H16FNO4/c1-7(2)11(13(17)18)15-12(16)10-8(14)5-4-6-9(10)19-3/h4-7,11H,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyQAFPTGQQURUBFO-LLVKDONJSA-N
MW269.27 g/mol
LogP1.67
Rot. Bonds5

About (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid

(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid (PubChem CID 79010897) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
PubChem CID79010897
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid
SMILESCOc1cccc(F)c1C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C13H16FNO4/c1-7(2)11(13(17)18)15-12(16)10-8(14)5-4-6-9(10)19-3/h4-7,11H,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyQAFPTGQQURUBFO-LLVKDONJSA-N
XLogP1.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-6-methoxybenzoyl)amino]-3-hydroxybutanoic acid
CID 65432052
N-but-3-yn-2-yl-2-fluoro-6-methoxybenzamide
CID 114389675
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
(2R)-5-amino-2-[(2-fluoro-6-methoxybenzoyl)amino]-5-oxopentanoic acid
CID 107829710
2-amino-1-(2-fluoro-6-methoxyphenyl)propan-1-one
CID 83808441
N-(2-amino-1-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 65432150
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-(1-amino-4,4-dimethylpentan-3-yl)-2-fluoro-6-methoxybenzamide
CID 106357024
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
2,6-difluoro-N-[1-[2-[2-(2-fluorophenoxy)propanoyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55342334
N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 42910277
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid (CID 79010897) is (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid is COc1cccc(F)c1C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid?
The InChIKey is QAFPTGQQURUBFO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-7(2)11(13(17)18)15-12(16)10-8(14)5-4-6-9(10)19-3/h4-7,11H,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid?
(2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid has a molecular weight of 269.27 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-fluoro-6-methoxybenzoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 79010897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).