5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid

C14H14N2O5 — CID 104608682

IUPAC5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid
SMILESCOC(=O)Nc1cccc(NCc2cc(C(=O)O)co2)c1
InChIInChI=1S/C14H14N2O5/c1-20-14(19)16-11-4-2-3-10(6-11)15-7-12-5-9(8-21-12)13(17)18/h2-6,8,15H,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyRKXUHQLKJQYDFJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.77
Rot. Bonds5

About 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid

5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid (PubChem CID 104608682) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid
PubChem CID104608682
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid
SMILESCOC(=O)Nc1cccc(NCc2cc(C(=O)O)co2)c1
InChIInChI=1S/C14H14N2O5/c1-20-14(19)16-11-4-2-3-10(6-11)15-7-12-5-9(8-21-12)13(17)18/h2-6,8,15H,7H2,1H3,(H,16,19)(H,17,18)
InChIKeyRKXUHQLKJQYDFJ-UHFFFAOYSA-N
XLogP2.77
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyanilino)methyl]furan-3-carboxylic acid
CID 113432435
4-[(4-methoxycarbonylfuran-2-yl)methylamino]benzoic acid
CID 104608179
5-[[3-(1,2,4-triazol-4-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608356
5-[(3-chloro-4-methylanilino)methyl]furan-3-carboxylic acid
CID 113432410
5-[[3-(2H-tetrazol-5-yl)anilino]methyl]furan-3-carboxylic acid
CID 104608500
5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylic acid
CID 104608807
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
methyl 5-[(3-ethynylanilino)methyl]furan-3-carboxylate
CID 104607899
5-[(4-methoxy-3-nitroanilino)methyl]furan-3-carboxylic acid
CID 104609314
5-[(2,6-dichloroanilino)methyl]furan-3-carboxylic acid
CID 113432526
methyl N-[3-[(1-methylpyrrol-2-yl)methylamino]phenyl]carbamate
CID 55039229
5-[(2,3-dihydro-1H-inden-5-ylamino)methyl]furan-3-carboxylic acid
CID 104607977

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid (CID 104608682) is 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid is COC(=O)Nc1cccc(NCc2cc(C(=O)O)co2)c1.
What is the InChIKey of 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid?
The InChIKey is RKXUHQLKJQYDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-20-14(19)16-11-4-2-3-10(6-11)15-7-12-5-9(8-21-12)13(17)18/h2-6,8,15H,7H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid?
5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(methoxycarbonylamino)anilino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).