5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid

C16H17NO3 — CID 63316651

IUPAC5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(c2ccccc2)C2CC2)o1
InChIInChI=1S/C16H17NO3/c18-16(19)14-9-8-13(20-14)10-17-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15,17H,6-7,10H2,(H,18,19)
InChIKeyGWMIIXJLDOMDIS-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.22
Rot. Bonds6

About 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid

5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 63316651) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid
PubChem CID63316651
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CNC(c2ccccc2)C2CC2)o1
InChIInChI=1S/C16H17NO3/c18-16(19)14-9-8-13(20-14)10-17-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15,17H,6-7,10H2,(H,18,19)
InChIKeyGWMIIXJLDOMDIS-UHFFFAOYSA-N
XLogP3.22
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(5-iodofuran-2-yl)methyl]-1-phenylmethanamine
CID 43786897
5-[[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]methyl]furan-2-carboxylic acid
CID 113406745
5-[[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]methyl]furan-2-carboxylic acid
CID 107251769
3-[[[cyclobutyl(phenyl)methyl]amino]methyl]benzoic acid
CID 122031089
5-[[[(1S)-1-(2-bromophenyl)ethyl]amino]methyl]furan-2-carboxylic acid
CID 81383105
3-[[cyclopropyl(phenyl)methyl]amino]propanamide
CID 60713317
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
2-[[cyclopropyl(phenyl)methyl]amino]-N-methylacetamide
CID 60712191
methyl 5-[(dicyclopropylmethylamino)methyl]furan-2-carboxylate
CID 43234866
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[(but-3-yn-2-ylamino)methyl]furan-2-carboxylic acid
CID 114414880
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162

Frequently Asked Questions

What is the IUPAC name of 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid (CID 63316651) is 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1ccc(CNC(c2ccccc2)C2CC2)o1.
What is the InChIKey of 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is GWMIIXJLDOMDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c18-16(19)14-9-8-13(20-14)10-17-15(12-6-7-12)11-4-2-1-3-5-11/h1-5,8-9,12,15,17H,6-7,10H2,(H,18,19).
What are the key properties of 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid?
5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[cyclopropyl(phenyl)methyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 63316651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).