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

C14H13NO4 — CID 65345833

IUPAC2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1occc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H13NO4/c1-9-12(5-6-19-9)14(18)15-11-4-2-3-10(7-11)8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRLCFYIOMFZGRNH-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.47
Rot. Bonds4

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

2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 65345833) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
PubChem CID65345833
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid
SMILESCc1occc1C(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C14H13NO4/c1-9-12(5-6-19-9)14(18)15-11-4-2-3-10(7-11)8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17)
InChIKeyRLCFYIOMFZGRNH-UHFFFAOYSA-N
XLogP2.47
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(methoxymethyl)phenyl]-2-methylfuran-3-carboxamide
CID 32638658
N-(3-acetylphenyl)-2-methylfuran-3-carboxamide
CID 896770
2-[3-[(2,4-dimethylbenzoyl)amino]phenyl]acetic acid
CID 65346128
2-[3-[(4-methyl-1,3-oxazole-5-carbonyl)amino]phenyl]acetic acid
CID 81456260
2-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]acetic acid
CID 115736177
N-[3-(cyclopropanecarbonylamino)phenyl]-2-methylfuran-3-carboxamide
CID 38325558
3-[4-[(2-methylfuran-3-carbonyl)amino]phenyl]propanoic acid
CID 29261712
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]furan-3-carboxamide
CID 43507800
2-methyl-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 17359293
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[(4,5-diethylfuran-2-carbonyl)amino]phenyl]acetic acid
CID 119352015
2-[3-[(5-bromo-2-hydroxybenzoyl)amino]phenyl]acetic acid
CID 107729404

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid (CID 65345833) is 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid is Cc1occc1C(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is RLCFYIOMFZGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-9-12(5-6-19-9)14(18)15-11-4-2-3-10(7-11)8-13(16)17/h2-7H,8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid?
2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid has a molecular weight of 259.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylfuran-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 65345833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).