5-(oxan-2-ylmethylamino)furan-2-carboxylic acid

C11H15NO4 — CID 62206731

IUPAC5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CCCCO2)o1
InChIInChI=1S/C11H15NO4/c13-11(14)9-4-5-10(16-9)12-7-8-3-1-2-6-15-8/h4-5,8,12H,1-3,6-7H2,(H,13,14)
InChIKeyODDHXVXHEJEZMS-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.96
Rot. Bonds4

About 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid

5-(oxan-2-ylmethylamino)furan-2-carboxylic acid (PubChem CID 62206731) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
PubChem CID62206731
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(oxan-2-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCC2CCCCO2)o1
InChIInChI=1S/C11H15NO4/c13-11(14)9-4-5-10(16-9)12-7-8-3-1-2-6-15-8/h4-5,8,12H,1-3,6-7H2,(H,13,14)
InChIKeyODDHXVXHEJEZMS-UHFFFAOYSA-N
XLogP1.96
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(oxan-2-yl)propanoyl]furan-2-carboxylic acid
CID 106946697
3-amino-4-(oxan-2-ylmethylamino)benzoic acid
CID 55013425
1-[4-(oxan-2-ylmethylamino)phenyl]ethanone
CID 115574155
5-[1-hydroxy-3-(oxolan-2-yl)propyl]furan-2-carboxylic acid
CID 106947334
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
5-methyl-2-(oxan-2-ylmethylamino)benzoic acid
CID 62516569
5-[(1-ethylpyrrolidin-2-yl)methylamino]furan-2-carboxylic acid
CID 55050376
3-chloro-4-(oxolan-2-ylmethylamino)benzoic acid
CID 63087283
3-bromo-4-(oxolan-2-ylmethylamino)benzoic acid
CID 82800763
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
5-[[2-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 63317293
[4-(oxolan-2-ylmethylamino)phenyl]methanol
CID 83962258

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid (CID 62206731) is 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NCC2CCCCO2)o1.
What is the InChIKey of 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid?
The InChIKey is ODDHXVXHEJEZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-11(14)9-4-5-10(16-9)12-7-8-3-1-2-6-15-8/h4-5,8,12H,1-3,6-7H2,(H,13,14).
What are the key properties of 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid?
5-(oxan-2-ylmethylamino)furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-ylmethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62206731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).