3-(cyclopropylamino)propane-1,2-diol

C6H13NO2 — CID 13157388

IUPAC3-(cyclopropylamino)propane-1,2-diol
SMILESOCC(O)CNC1CC1
InChIInChI=1S/C6H13NO2/c8-4-6(9)3-7-5-1-2-5/h5-9H,1-4H2
InChIKeyOLNRTDSZFKXCQZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.91
Rot. Bonds4

About 3-(cyclopropylamino)propane-1,2-diol

3-(cyclopropylamino)propane-1,2-diol (PubChem CID 13157388) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(cyclopropylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(cyclopropylamino)propane-1,2-diol
PubChem CID13157388
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(cyclopropylamino)propane-1,2-diol
SMILESOCC(O)CNC1CC1
InChIInChI=1S/C6H13NO2/c8-4-6(9)3-7-5-1-2-5/h5-9H,1-4H2
InChIKeyOLNRTDSZFKXCQZ-UHFFFAOYSA-N
XLogP-0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)propane-1,2-diol?
The IUPAC name of 3-(cyclopropylamino)propane-1,2-diol (CID 13157388) is 3-(cyclopropylamino)propane-1,2-diol.
What is the SMILES notation for 3-(cyclopropylamino)propane-1,2-diol?
The canonical SMILES for 3-(cyclopropylamino)propane-1,2-diol is OCC(O)CNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)propane-1,2-diol?
The InChIKey is OLNRTDSZFKXCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c8-4-6(9)3-7-5-1-2-5/h5-9H,1-4H2.
What are the key properties of 3-(cyclopropylamino)propane-1,2-diol?
3-(cyclopropylamino)propane-1,2-diol has a molecular weight of 131.18 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)propane-1,2-diol is sourced from PubChem (CID 13157388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).