5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid

C14H18FNO4 — CID 82010234

IUPAC5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1cccc(F)c1C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H18FNO4/c1-9(6-7-12(17)18)8-16-14(19)13-10(15)4-3-5-11(13)20-2/h3-5,9H,6-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMOLBXZGFDPUSGC-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.07
Rot. Bonds7

About 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid

5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid (PubChem CID 82010234) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
PubChem CID82010234
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
SMILESCOc1cccc(F)c1C(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C14H18FNO4/c1-9(6-7-12(17)18)8-16-14(19)13-10(15)4-3-5-11(13)20-2/h3-5,9H,6-8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyMOLBXZGFDPUSGC-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-(2-chloro-2-phenylethyl)-2-fluoro-6-methoxybenzamide
CID 114295738
N-(2-bromopentyl)-2-fluoro-6-methoxybenzamide
CID 113496506
5-[(2-fluoro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 82682663
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403
5-[3-(2-fluorophenoxy)propanoylamino]-4-methylpentanoic acid
CID 82009038
5-[(5-chloro-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 82009047
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid (CID 82010234) is 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid is COc1cccc(F)c1C(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is MOLBXZGFDPUSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-9(6-7-12(17)18)8-16-14(19)13-10(15)4-3-5-11(13)20-2/h3-5,9H,6-8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid?
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82010234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).