5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid

C16H13NO3 — CID 62369627

IUPAC5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2cccc3ccccc23)o1
InChIInChI=1S/C16H13NO3/c18-16(19)14-8-9-15(20-14)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,17H,10H2,(H,18,19)
InChIKeyYXADRCUACIXISE-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.74
Rot. Bonds4

About 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid

5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid (PubChem CID 62369627) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
PubChem CID62369627
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2cccc3ccccc23)o1
InChIInChI=1S/C16H13NO3/c18-16(19)14-8-9-15(20-14)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,17H,10H2,(H,18,19)
InChIKeyYXADRCUACIXISE-UHFFFAOYSA-N
XLogP3.74
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-naphthalen-1-ylfuran-2-carboxylic acid
CID 43332928
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
CID 81177327
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
3-(naphthalen-1-ylmethylamino)pyrazine-2-carboxylic acid
CID 62711505
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
2-(4-chlorophenyl)-N'-(2-naphthalen-1-ylacetyl)acetohydrazide
CID 4936833
1-(naphthalen-1-ylmethylamino)propan-2-ol;oxalic acid
CID 171155033
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
CID 113360552
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid (CID 62369627) is 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NCc2cccc3ccccc23)o1.
What is the InChIKey of 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid?
The InChIKey is YXADRCUACIXISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-16(19)14-8-9-15(20-14)17-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-9,17H,10H2,(H,18,19).
What are the key properties of 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid?
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62369627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).