2-amino-2-(aminomethyl)butane-1,3-diol

C5H14N2O2 — CID 57006858

IUPAC2-amino-2-(aminomethyl)butane-1,3-diol
SMILESCC(O)C(N)(CN)CO
InChIInChI=1S/C5H14N2O2/c1-4(9)5(7,2-6)3-8/h4,8-9H,2-3,6-7H2,1H3
InChIKeyZITRZIAVCMJPBS-UHFFFAOYSA-N
MW134.18 g/mol
LogP-1.98
Rot. Bonds3

About 2-amino-2-(aminomethyl)butane-1,3-diol

2-amino-2-(aminomethyl)butane-1,3-diol (PubChem CID 57006858) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-amino-2-(aminomethyl)butane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-(aminomethyl)butane-1,3-diol
PubChem CID57006858
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Name2-amino-2-(aminomethyl)butane-1,3-diol
SMILESCC(O)C(N)(CN)CO
InChIInChI=1S/C5H14N2O2/c1-4(9)5(7,2-6)3-8/h4,8-9H,2-3,6-7H2,1H3
InChIKeyZITRZIAVCMJPBS-UHFFFAOYSA-N
XLogP-1.98
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(aminomethyl)butane-1,3-diol?
The IUPAC name of 2-amino-2-(aminomethyl)butane-1,3-diol (CID 57006858) is 2-amino-2-(aminomethyl)butane-1,3-diol.
What is the SMILES notation for 2-amino-2-(aminomethyl)butane-1,3-diol?
The canonical SMILES for 2-amino-2-(aminomethyl)butane-1,3-diol is CC(O)C(N)(CN)CO.
What is the InChIKey of 2-amino-2-(aminomethyl)butane-1,3-diol?
The InChIKey is ZITRZIAVCMJPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2/c1-4(9)5(7,2-6)3-8/h4,8-9H,2-3,6-7H2,1H3.
What are the key properties of 2-amino-2-(aminomethyl)butane-1,3-diol?
2-amino-2-(aminomethyl)butane-1,3-diol has a molecular weight of 134.18 g/mol, XLogP of -1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(aminomethyl)butane-1,3-diol is sourced from PubChem (CID 57006858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).