2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid

C17H18FNO4 — CID 119954940

IUPAC2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO4/c1-3-11(2)19(10-16(20)21)17(22)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeySDMNLYIGTVDAJF-UHFFFAOYSA-N
MW319.33 g/mol
LogP3.41
Rot. Bonds6

About 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid

2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid (PubChem CID 119954940) has the molecular formula C17H18FNO4 and a molecular weight of 319.33 g/mol. Its IUPAC name is 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
PubChem CID119954940
Molecular FormulaC17H18FNO4
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H18FNO4/c1-3-11(2)19(10-16(20)21)17(22)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKeySDMNLYIGTVDAJF-UHFFFAOYSA-N
XLogP3.41
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butan-2-yl-(5-ethylfuran-2-carbonyl)amino]acetic acid
CID 60829213
2-[butan-2-yl-[5-(methoxymethyl)furan-2-carbonyl]amino]acetic acid
CID 119954509
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 51182582
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
2-[butan-2-yl-[5-(methylsulfamoyl)furan-2-carbonyl]amino]acetic acid
CID 119954468
2-[butan-2-yl-(2,4-difluorobenzoyl)amino]acetic acid
CID 54925865
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601
5-(4-fluorophenyl)-N-propan-2-ylfuran-2-carboxamide
CID 4290851
2-[butan-2-yl-(2-fluoro-6-methoxybenzoyl)amino]acetic acid
CID 65432054
N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 18133644
2-[[5-(4-ethylphenyl)furan-2-carbonyl]-methylamino]propanoic acid
CID 119209158
N-(3-amino-2-methylpropyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 119995910

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid (CID 119954940) is 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is SDMNLYIGTVDAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4/c1-3-11(2)19(10-16(20)21)17(22)15-9-8-14(23-15)12-4-6-13(18)7-5-12/h4-9,11H,3,10H2,1-2H3,(H,20,21).
What are the key properties of 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid?
2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 319.33 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[5-(4-fluorophenyl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 119954940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).