3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

C12H14FNO5 — CID 66174619

IUPAC3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCOc1cccc(F)c1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H14FNO5/c1-12(18,11(16)17)6-14-10(15)9-7(13)4-3-5-8(9)19-2/h3-5,18H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXXBLULJEVYYQNA-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.40
Rot. Bonds5

About 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66174619) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66174619
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCOc1cccc(F)c1C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H14FNO5/c1-12(18,11(16)17)6-14-10(15)9-7(13)4-3-5-8(9)19-2/h3-5,18H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyXXBLULJEVYYQNA-UHFFFAOYSA-N
XLogP0.40
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
3-[(2-chloro-6-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172745
3-[(2,3-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172000
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
CID 107321246
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66174619) is 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is COc1cccc(F)c1C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is XXBLULJEVYYQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-12(18,11(16)17)6-14-10(15)9-7(13)4-3-5-8(9)19-2/h3-5,18H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 271.24 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66174619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).