2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid

C12H14FNO4 — CID 62478213

IUPAC2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-18-7-6-10(12(16)17)14-11(15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeySPAMULOEZCBPGR-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.05
Rot. Bonds6

About 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid

2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 62478213) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
PubChem CID62478213
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C12H14FNO4/c1-18-7-6-10(12(16)17)14-11(15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeySPAMULOEZCBPGR-UHFFFAOYSA-N
XLogP1.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
4-methoxy-2-[[4-(2,2,2-trifluoroethoxy)benzoyl]amino]butanoic acid
CID 120702424
2-[[2-(4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 62480729
2-[3-(4-fluorophenyl)prop-2-enoylamino]-4-methoxybutanoic acid
CID 76944184
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
2-[(3-acetamido-4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 120702531
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
2-[(5-fluoro-2-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 120977642
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid (CID 62478213) is 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is SPAMULOEZCBPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-18-7-6-10(12(16)17)14-11(15)8-2-4-9(13)5-3-8/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid?
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).