3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

C12H14FNO5 — CID 66172564

IUPAC3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(O)C(=O)O)cc1F
InChIInChI=1S/C12H14FNO5/c1-12(18,11(16)17)6-14-10(15)7-3-4-9(19-2)8(13)5-7/h3-5,18H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAJQLRLODZCNJGO-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.40
Rot. Bonds5

About 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66172564) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66172564
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCOc1ccc(C(=O)NCC(C)(O)C(=O)O)cc1F
InChIInChI=1S/C12H14FNO5/c1-12(18,11(16)17)6-14-10(15)7-3-4-9(19-2)8(13)5-7/h3-5,18H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAJQLRLODZCNJGO-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

3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
3-fluoro-N-(5-hydroxy-2,2-dimethylpentyl)-4-methoxybenzamide
CID 75441473
3-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177412
3-fluoro-4-methoxy-N-(2-oxopropyl)benzamide
CID 64997274
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
N-(4-bromobutyl)-3-fluoro-4-methoxybenzamide
CID 106845988
N-(2-aminoethyl)-3-fluoro-4-methoxybenzamide;hydrochloride
CID 119383983
(2R)-2-[(3-fluoro-4-methoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103926690
3-[(3,5-difluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172560
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 81003078
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66172564) is 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is COc1ccc(C(=O)NCC(C)(O)C(=O)O)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is AJQLRLODZCNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-12(18,11(16)17)6-14-10(15)7-3-4-9(19-2)8(13)5-7/h3-5,18H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(3-fluoro-4-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-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66172564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).