4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid

C15H15NO4 — CID 104698066

IUPAC4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
SMILESCN(C(=O)CCc1ccco1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15NO4/c1-16(12-6-4-11(5-7-12)15(18)19)14(17)9-8-13-3-2-10-20-13/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyUUALWMYKDOJOGM-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.57
Rot. Bonds5

About 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid

4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid (PubChem CID 104698066) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid.

Molecular Properties

Compound Name4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
PubChem CID104698066
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid
SMILESCN(C(=O)CCc1ccco1)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15NO4/c1-16(12-6-4-11(5-7-12)15(18)19)14(17)9-8-13-3-2-10-20-13/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyUUALWMYKDOJOGM-UHFFFAOYSA-N
XLogP2.57
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpropanamide
CID 76979523
3-(furan-2-yl)-N-methyl-N-(4-sulfamoylphenyl)propanamide
CID 61131132
3-(furan-2-yl)-N-methyl-N-naphthalen-2-ylpropanamide
CID 8851932
N-(3-carbamothioylphenyl)-3-(furan-2-yl)-N-methylpropanamide
CID 62971167
2-[3-(furan-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 55123873
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
3-(furan-2-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79290960
4-[acetyl(furan-2-ylmethyl)amino]benzoic acid
CID 39359965
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
2-[tert-butyl-[3-(furan-2-yl)propanoyl]amino]acetic acid
CID 79266775
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
4-[methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]benzoic acid
CID 104698150

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid?
The IUPAC name of 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid (CID 104698066) is 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid.
What is the SMILES notation for 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid?
The canonical SMILES for 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid is CN(C(=O)CCc1ccco1)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid?
The InChIKey is UUALWMYKDOJOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-16(12-6-4-11(5-7-12)15(18)19)14(17)9-8-13-3-2-10-20-13/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid?
4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-yl)propanoyl-methylamino]benzoic acid is sourced from PubChem (CID 104698066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).