4-aminobutane-1,2-diol

C4H11NO2 — CID 14325610

IUPAC4-aminobutane-1,2-diol
SMILESNCCC(O)CO
InChIInChI=1S/C4H11NO2/c5-2-1-4(7)3-6/h4,6-7H,1-3,5H2
InChIKeyARZSRJNMSIMAKS-UHFFFAOYSA-N
MW105.14 g/mol
LogP-1.31
Rot. Bonds3

About 4-aminobutane-1,2-diol

4-aminobutane-1,2-diol (PubChem CID 14325610) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is 4-aminobutane-1,2-diol.

Molecular Properties

Compound Name4-aminobutane-1,2-diol
PubChem CID14325610
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC Name4-aminobutane-1,2-diol
SMILESNCCC(O)CO
InChIInChI=1S/C4H11NO2/c5-2-1-4(7)3-6/h4,6-7H,1-3,5H2
InChIKeyARZSRJNMSIMAKS-UHFFFAOYSA-N
XLogP-1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminobutane-1,2-diol?
The IUPAC name of 4-aminobutane-1,2-diol (CID 14325610) is 4-aminobutane-1,2-diol.
What is the SMILES notation for 4-aminobutane-1,2-diol?
The canonical SMILES for 4-aminobutane-1,2-diol is NCCC(O)CO.
What is the InChIKey of 4-aminobutane-1,2-diol?
The InChIKey is ARZSRJNMSIMAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c5-2-1-4(7)3-6/h4,6-7H,1-3,5H2.
What are the key properties of 4-aminobutane-1,2-diol?
4-aminobutane-1,2-diol has a molecular weight of 105.14 g/mol, XLogP of -1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobutane-1,2-diol is sourced from PubChem (CID 14325610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).