5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid

C14H13NO5 — CID 104608185

IUPAC5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
SMILESCOC(=O)c1ccccc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H13NO5/c1-19-14(18)11-4-2-3-5-12(11)15-7-10-6-9(8-20-10)13(16)17/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyPDQDIIUCCXZXGI-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.38
Rot. Bonds5

About 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid

5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid (PubChem CID 104608185) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
PubChem CID104608185
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
SMILESCOC(=O)c1ccccc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H13NO5/c1-19-14(18)11-4-2-3-5-12(11)15-7-10-6-9(8-20-10)13(16)17/h2-6,8,15H,7H2,1H3,(H,16,17)
InChIKeyPDQDIIUCCXZXGI-UHFFFAOYSA-N
XLogP2.38
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
methyl 5-[(2-fluoroanilino)methyl]furan-3-carboxylate
CID 104585655
methyl 2-(furan-2-ylmethylamino)benzoate
CID 43087160
4-[(2-methoxycarbonylanilino)methyl]benzoic acid
CID 65348011
5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104608047
5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
CID 104608536
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylic acid
CID 104608807
5-[(2-methoxy-4-methylanilino)methyl]furan-3-carboxylic acid
CID 104608703
methyl 5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylate
CID 104585702
5-[(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)methyl]furan-3-carboxylic acid
CID 104608404

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid (CID 104608185) is 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid is COC(=O)c1ccccc1NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid?
The InChIKey is PDQDIIUCCXZXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-19-14(18)11-4-2-3-5-12(11)15-7-10-6-9(8-20-10)13(16)17/h2-6,8,15H,7H2,1H3,(H,16,17).
What are the key properties of 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid?
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).