3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid

C11H15NO4 — CID 103268076

IUPAC3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNC1(CO)CCC1
InChIInChI=1S/C11H15NO4/c13-7-11(3-1-4-11)12-6-8-2-5-16-9(8)10(14)15/h2,5,12-13H,1,3-4,6-7H2,(H,14,15)
InChIKeyCIXBGJKHZHAZFU-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.98
Rot. Bonds5

About 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid

3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 103268076) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid
PubChem CID103268076
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid
SMILESO=C(O)c1occc1CNC1(CO)CCC1
InChIInChI=1S/C11H15NO4/c13-7-11(3-1-4-11)12-6-8-2-5-16-9(8)10(14)15/h2,5,12-13H,1,3-4,6-7H2,(H,14,15)
InChIKeyCIXBGJKHZHAZFU-UHFFFAOYSA-N
XLogP0.98
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid (CID 103268076) is 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid is O=C(O)c1occc1CNC1(CO)CCC1.
What is the InChIKey of 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is CIXBGJKHZHAZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-7-11(3-1-4-11)12-6-8-2-5-16-9(8)10(14)15/h2,5,12-13H,1,3-4,6-7H2,(H,14,15).
What are the key properties of 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid?
3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 103268076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).