3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid

C15H15NO4 — CID 115339330

IUPAC3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ccoc1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-10-7-8-20-14(10)15(19)16-12-4-2-3-11(9-12)5-6-13(17)18/h2-4,7-9H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyWXTHEEPYQXYAOM-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.86
Rot. Bonds5

About 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid

3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 115339330) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID115339330
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
SMILESCc1ccoc1C(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-10-7-8-20-14(10)15(19)16-12-4-2-3-11(9-12)5-6-13(17)18/h2-4,7-9H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyWXTHEEPYQXYAOM-UHFFFAOYSA-N
XLogP2.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
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N-(3-iodophenyl)-3-methylfuran-2-carboxamide
CID 27445102
3-[3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]propanoic acid
CID 115339293
3-methyl-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60728536
3-[3-(propan-2-yloxycarbonylamino)phenyl]propanoic acid
CID 113290372
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120538137
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[4-[N-[6-amino-5-[2-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]ethynyl]pyridine-3-carbonyl]-S-methylsulfonimidoyl]phenyl]propanoic acid
CID 24956711
3-[3-[(2,4,6-trimethyl-3-pyridinyl)carbamoylamino]phenyl]propanoic acid
CID 122093877
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid (CID 115339330) is 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid is Cc1ccoc1C(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is WXTHEEPYQXYAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-7-8-20-14(10)15(19)16-12-4-2-3-11(9-12)5-6-13(17)18/h2-4,7-9H,5-6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid?
3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 115339330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).