methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate

C12H14FNO5 — CID 103957956

IUPACmethyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1c(F)cccc1OC
InChIInChI=1S/C12H14FNO5/c1-18-9-5-3-4-7(13)10(9)11(16)14-6-8(15)12(17)19-2/h3-5,8,15H,6H2,1-2H3,(H,14,16)
InChIKeyVDIJXINVCNADKI-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.10
Rot. Bonds5

About methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate

methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate (PubChem CID 103957956) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
PubChem CID103957956
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Namemethyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1c(F)cccc1OC
InChIInChI=1S/C12H14FNO5/c1-18-9-5-3-4-7(13)10(9)11(16)14-6-8(15)12(17)19-2/h3-5,8,15H,6H2,1-2H3,(H,14,16)
InChIKeyVDIJXINVCNADKI-UHFFFAOYSA-N
XLogP0.10
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-(1-aminopropan-2-yl)-2-fluoro-6-methoxybenzamide
CID 65434046
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate (CID 103957956) is methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1c(F)cccc1OC.
What is the InChIKey of methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate?
The InChIKey is VDIJXINVCNADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-18-9-5-3-4-7(13)10(9)11(16)14-6-8(15)12(17)19-2/h3-5,8,15H,6H2,1-2H3,(H,14,16).
What are the key properties of methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate?
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate has a molecular weight of 271.24 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 103957956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).