4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid

C12H11NO4 — CID 54037290

IUPAC4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid
SMILESCc1ccccc1Nc1occ(O)c1C(=O)O
InChIInChI=1S/C12H11NO4/c1-7-4-2-3-5-8(7)13-11-10(12(15)16)9(14)6-17-11/h2-6,13-14H,1H3,(H,15,16)
InChIKeyLJWAPYUAFRFXRP-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.74
Rot. Bonds3

About 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid

4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid (PubChem CID 54037290) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid
PubChem CID54037290
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid
SMILESCc1ccccc1Nc1occ(O)c1C(=O)O
InChIInChI=1S/C12H11NO4/c1-7-4-2-3-5-8(7)13-11-10(12(15)16)9(14)6-17-11/h2-6,13-14H,1H3,(H,15,16)
InChIKeyLJWAPYUAFRFXRP-UHFFFAOYSA-N
XLogP2.74
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4,5-tetrafluoro-6-(2-methylanilino)benzoic acid
CID 4549316
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
2,5-dihydroxy-6-[(4-methoxyphenyl)diazenyl]-3-(2-methylanilino)benzoic acid
CID 137295578
4-(3-hydroxyphenyl)-2-(2-methylanilino)benzoic acid
CID 68962733
2-acetamido-6-methylbenzoic acid
CID 2801400
2-anilino-6-hydroxybenzoic acid
CID 154369183
2-methyl-6-(sulfamoylamino)benzoic acid
CID 114958898
6-(2-methylanilino)-3-methylsulfanylpyridazine-4-carboxylic acid
CID 117102978
2-[(3-hydroxy-2-methylbenzoyl)amino]-6-methylbenzoic acid
CID 82810542
2-[(2,3-dihydroxybenzoyl)amino]-6-methylbenzoic acid
CID 114343361
benzoic acid;2-methylphenol
CID 163780186
2-(ethylamino)-6-methylbenzoic acid
CID 13478134

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid (CID 54037290) is 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid is Cc1ccccc1Nc1occ(O)c1C(=O)O.
What is the InChIKey of 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid?
The InChIKey is LJWAPYUAFRFXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-7-4-2-3-5-8(7)13-11-10(12(15)16)9(14)6-17-11/h2-6,13-14H,1H3,(H,15,16).
What are the key properties of 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid?
4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(2-methylanilino)furan-3-carboxylic acid is sourced from PubChem (CID 54037290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).