2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid

C11H15NO4 — CID 103251607

IUPAC2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNC1CCCOC1
InChIInChI=1S/C11H15NO4/c13-11(14)9-3-5-16-10(9)6-12-8-2-1-4-15-7-8/h3,5,8,12H,1-2,4,6-7H2,(H,13,14)
InChIKeyHLTCQOCBJYJHPB-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.25
Rot. Bonds4

About 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid

2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid (PubChem CID 103251607) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
PubChem CID103251607
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1CNC1CCCOC1
InChIInChI=1S/C11H15NO4/c13-11(14)9-3-5-16-10(9)6-12-8-2-1-4-15-7-8/h3,5,8,12H,1-2,4,6-7H2,(H,13,14)
InChIKeyHLTCQOCBJYJHPB-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(cyclohex-3-en-1-ylamino)methyl]furan-3-carboxylic acid
CID 103255293
5-[(oxan-3-ylamino)methyl]furan-2-carboxylic acid
CID 63359979
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
6-[(oxan-3-ylamino)methyl]pyridine-2-carboxylic acid
CID 106904699
2-[(oxolan-3-ylamino)methyl]benzoic acid
CID 103258434
2-[(morpholin-4-ylamino)methyl]furan-3-carboxylic acid
CID 103261035
2-[[(2-phenylcyclopropyl)amino]methyl]furan-3-carboxylic acid
CID 103244631
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
2-[[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]methyl]furan-3-carboxylic acid
CID 103255021
3-(oxan-3-ylamino)propanoic acid
CID 63363556
2-nitro-6-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251627
2-[[(4-methylcyclohexyl)methylamino]methyl]furan-3-carboxylic acid
CID 103250437

Frequently Asked Questions

What is the IUPAC name of 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid (CID 103251607) is 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1CNC1CCCOC1.
What is the InChIKey of 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid?
The InChIKey is HLTCQOCBJYJHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-11(14)9-3-5-16-10(9)6-12-8-2-1-4-15-7-8/h3,5,8,12H,1-2,4,6-7H2,(H,13,14).
What are the key properties of 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid?
2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(oxan-3-ylamino)methyl]furan-3-carboxylic acid is sourced from PubChem (CID 103251607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).