5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid

C14H14N2O4 — CID 104608536

IUPAC5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
SMILESNC(=O)Cc1ccccc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14N2O4/c15-13(17)6-9-3-1-2-4-12(9)16-7-11-5-10(8-20-11)14(18)19/h1-5,8,16H,6-7H2,(H2,15,17)(H,18,19)
InChIKeyDFVCWHRGCCNBFX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.62
Rot. Bonds6

About 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid

5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid (PubChem CID 104608536) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
PubChem CID104608536
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid
SMILESNC(=O)Cc1ccccc1NCc1cc(C(=O)O)co1
InChIInChI=1S/C14H14N2O4/c15-13(17)6-9-3-1-2-4-12(9)16-7-11-5-10(8-20-11)14(18)19/h1-5,8,16H,6-7H2,(H2,15,17)(H,18,19)
InChIKeyDFVCWHRGCCNBFX-UHFFFAOYSA-N
XLogP1.62
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(dimethylamino)methyl]anilino]methyl]furan-3-carboxylic acid
CID 104608604
5-[(2-methoxycarbonylanilino)methyl]furan-3-carboxylic acid
CID 104608185
5-[[2-(difluoromethoxy)anilino]methyl]furan-3-carboxylic acid
CID 104608047
methyl 5-[(2-ethylanilino)methyl]furan-3-carboxylate
CID 104585593
5-[(3-fluoro-2-methylanilino)methyl]furan-3-carboxylic acid
CID 104608807
2-[2-(1-benzofuran-2-ylmethylamino)phenyl]acetamide
CID 43738402
2-[2-(1-benzofuran-3-ylmethylamino)phenyl]acetamide
CID 80700430
5-[(2-imidazol-1-ylanilino)methyl]furan-3-carboxylic acid
CID 104608250
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
5-[(5-carbamoyl-2-methoxyanilino)methyl]furan-3-carboxylic acid
CID 104608517
5-[(2,6-dichloroanilino)methyl]furan-3-carboxylic acid
CID 113432526
5-[(1H-indazol-4-ylamino)methyl]furan-3-carboxylic acid
CID 104608704

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid?
The IUPAC name of 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid (CID 104608536) is 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid is NC(=O)Cc1ccccc1NCc1cc(C(=O)O)co1.
What is the InChIKey of 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid?
The InChIKey is DFVCWHRGCCNBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c15-13(17)6-9-3-1-2-4-12(9)16-7-11-5-10(8-20-11)14(18)19/h1-5,8,16H,6-7H2,(H2,15,17)(H,18,19).
What are the key properties of 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid?
5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-amino-2-oxoethyl)anilino]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 104608536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).