3-amino-3-cyclopropylpropane-1,2-diol

C6H13NO2 — CID 131472467

IUPAC3-amino-3-cyclopropylpropane-1,2-diol
SMILESNC(C(O)CO)C1CC1
InChIInChI=1S/C6H13NO2/c7-6(4-1-2-4)5(9)3-8/h4-6,8-9H,1-3,7H2
InChIKeyILKSFLOKTMWSRO-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.92
Rot. Bonds3

About 3-amino-3-cyclopropylpropane-1,2-diol

3-amino-3-cyclopropylpropane-1,2-diol (PubChem CID 131472467) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-amino-3-cyclopropylpropane-1,2-diol.

Molecular Properties

Compound Name3-amino-3-cyclopropylpropane-1,2-diol
PubChem CID131472467
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-amino-3-cyclopropylpropane-1,2-diol
SMILESNC(C(O)CO)C1CC1
InChIInChI=1S/C6H13NO2/c7-6(4-1-2-4)5(9)3-8/h4-6,8-9H,1-3,7H2
InChIKeyILKSFLOKTMWSRO-UHFFFAOYSA-N
XLogP-0.92
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropylpropane-1,2-diol?
The IUPAC name of 3-amino-3-cyclopropylpropane-1,2-diol (CID 131472467) is 3-amino-3-cyclopropylpropane-1,2-diol.
What is the SMILES notation for 3-amino-3-cyclopropylpropane-1,2-diol?
The canonical SMILES for 3-amino-3-cyclopropylpropane-1,2-diol is NC(C(O)CO)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropylpropane-1,2-diol?
The InChIKey is ILKSFLOKTMWSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c7-6(4-1-2-4)5(9)3-8/h4-6,8-9H,1-3,7H2.
What are the key properties of 3-amino-3-cyclopropylpropane-1,2-diol?
3-amino-3-cyclopropylpropane-1,2-diol has a molecular weight of 131.17 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropylpropane-1,2-diol is sourced from PubChem (CID 131472467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).