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

C12H14FNO5 — CID 106108177

IUPAC3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
SMILESCOc1cc(C(=O)NCC(OC)C(=O)O)ccc1F
InChIInChI=1S/C12H14FNO5/c1-18-9-5-7(3-4-8(9)13)11(15)14-6-10(19-2)12(16)17/h3-5,10H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAKGFHKFZFNZJFY-UHFFFAOYSA-N
MW271.24 g/mol
LogP0.66
Rot. Bonds6

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

3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 106108177) has the molecular formula C12H14FNO5 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
PubChem CID106108177
Molecular FormulaC12H14FNO5
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
SMILESCOc1cc(C(=O)NCC(OC)C(=O)O)ccc1F
InChIInChI=1S/C12H14FNO5/c1-18-9-5-7(3-4-8(9)13)11(15)14-6-10(19-2)12(16)17/h3-5,10H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAKGFHKFZFNZJFY-UHFFFAOYSA-N
XLogP0.66
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[(3-methoxy-4-nitrobenzoyl)amino]propanoic acid
CID 106107728
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methoxybenzamide
CID 81284754
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]propanoic acid
CID 81283790
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545
N-[2-(2-chloroethyl)pentyl]-4-fluoro-3-methoxybenzamide
CID 106117497
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144332

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid (CID 106108177) is 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid is COc1cc(C(=O)NCC(OC)C(=O)O)ccc1F.
What is the InChIKey of 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is AKGFHKFZFNZJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO5/c1-18-9-5-7(3-4-8(9)13)11(15)14-6-10(19-2)12(16)17/h3-5,10H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid?
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 271.24 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).