3-(prop-1-en-2-ylamino)propane-1,2-diol

C6H13NO2 — CID 89371298

IUPAC3-(prop-1-en-2-ylamino)propane-1,2-diol
SMILESC=C(C)NCC(O)CO
InChIInChI=1S/C6H13NO2/c1-5(2)7-3-6(9)4-8/h6-9H,1,3-4H2,2H3
InChIKeyVTINCEHAYDDYIH-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.54
Rot. Bonds4

About 3-(prop-1-en-2-ylamino)propane-1,2-diol

3-(prop-1-en-2-ylamino)propane-1,2-diol (PubChem CID 89371298) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 3-(prop-1-en-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(prop-1-en-2-ylamino)propane-1,2-diol
PubChem CID89371298
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name3-(prop-1-en-2-ylamino)propane-1,2-diol
SMILESC=C(C)NCC(O)CO
InChIInChI=1S/C6H13NO2/c1-5(2)7-3-6(9)4-8/h6-9H,1,3-4H2,2H3
InChIKeyVTINCEHAYDDYIH-UHFFFAOYSA-N
XLogP-0.54
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 ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-1-en-2-ylamino)propane-1,2-diol?
The IUPAC name of 3-(prop-1-en-2-ylamino)propane-1,2-diol (CID 89371298) is 3-(prop-1-en-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(prop-1-en-2-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(prop-1-en-2-ylamino)propane-1,2-diol is C=C(C)NCC(O)CO.
What is the InChIKey of 3-(prop-1-en-2-ylamino)propane-1,2-diol?
The InChIKey is VTINCEHAYDDYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)7-3-6(9)4-8/h6-9H,1,3-4H2,2H3.
What are the key properties of 3-(prop-1-en-2-ylamino)propane-1,2-diol?
3-(prop-1-en-2-ylamino)propane-1,2-diol has a molecular weight of 131.18 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-1-en-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 89371298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).