2-amino-2-(hydroxymethyl)butane-1,4-diol

C5H13NO3 — CID 18435579

IUPAC2-amino-2-(hydroxymethyl)butane-1,4-diol
SMILESNC(CO)(CO)CCO
InChIInChI=1S/C5H13NO3/c6-5(3-8,4-9)1-2-7/h7-9H,1-4,6H2
InChIKeyLFIBNALISOGBFM-UHFFFAOYSA-N
MW135.16 g/mol
LogP-1.95
Rot. Bonds4

About 2-amino-2-(hydroxymethyl)butane-1,4-diol

2-amino-2-(hydroxymethyl)butane-1,4-diol (PubChem CID 18435579) has the molecular formula C5H13NO3 and a molecular weight of 135.16 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)butane-1,4-diol.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)butane-1,4-diol
PubChem CID18435579
Molecular FormulaC5H13NO3
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name2-amino-2-(hydroxymethyl)butane-1,4-diol
SMILESNC(CO)(CO)CCO
InChIInChI=1S/C5H13NO3/c6-5(3-8,4-9)1-2-7/h7-9H,1-4,6H2
InChIKeyLFIBNALISOGBFM-UHFFFAOYSA-N
XLogP-1.95
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Htris
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3-Amino-3-methylbutan-1-ol
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2-Amino-2-methylbutan-1-ol
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(3-Aminooxolan-3-yl)methanol
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3-Amino-4-methoxy-3-methylbutan-1-ol
CID 65240020
[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]azanium;hydron
CID 169552794
2-Amino-2-(hydroxymethyl)propane-1,3-diol;hydron
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)butane-1,4-diol?
The IUPAC name of 2-amino-2-(hydroxymethyl)butane-1,4-diol (CID 18435579) is 2-amino-2-(hydroxymethyl)butane-1,4-diol.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)butane-1,4-diol?
The canonical SMILES for 2-amino-2-(hydroxymethyl)butane-1,4-diol is NC(CO)(CO)CCO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)butane-1,4-diol?
The InChIKey is LFIBNALISOGBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO3/c6-5(3-8,4-9)1-2-7/h7-9H,1-4,6H2.
What are the key properties of 2-amino-2-(hydroxymethyl)butane-1,4-diol?
2-amino-2-(hydroxymethyl)butane-1,4-diol has a molecular weight of 135.16 g/mol, XLogP of -1.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)butane-1,4-diol is sourced from PubChem (CID 18435579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).