2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid

C13H16FNO5 — CID 120977642

IUPAC2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(F)ccc1OC)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-19-6-5-10(13(17)18)15-12(16)9-7-8(14)3-4-11(9)20-2/h3-4,7,10H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKHAQNMYGNZYRSR-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.05
Rot. Bonds7

About 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid

2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 120977642) has the molecular formula C13H16FNO5 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
PubChem CID120977642
Molecular FormulaC13H16FNO5
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1cc(F)ccc1OC)C(=O)O
InChIInChI=1S/C13H16FNO5/c1-19-6-5-10(13(17)18)15-12(16)9-7-8(14)3-4-11(9)20-2/h3-4,7,10H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyKHAQNMYGNZYRSR-UHFFFAOYSA-N
XLogP1.05
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]butanoic acid
CID 129414819
2-[(5-fluoro-2-nitrobenzoyl)amino]-4-methoxybutanoic acid
CID 62479845
2-[(4-fluoro-2-methoxyphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62474332
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(2,4-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780270
2-[(4-ethoxy-3-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120702980
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
(2S)-2-[(2-methoxy-5-methylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 61152833
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
(2S)-2-[(2,4-difluorobenzoyl)amino]pentanoic acid
CID 107564266

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid (CID 120977642) is 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1cc(F)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is KHAQNMYGNZYRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO5/c1-19-6-5-10(13(17)18)15-12(16)9-7-8(14)3-4-11(9)20-2/h3-4,7,10H,5-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid?
2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 285.27 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120977642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).