2-amino-2-methoxypropane-1,3-diol

C4H11NO3 — CID 6420021

IUPAC2-amino-2-methoxypropane-1,3-diol
SMILESCOC(N)(CO)CO
InChIInChI=1S/C4H11NO3/c1-8-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKeyXXCSSZGYDKHVIF-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.73
Rot. Bonds3

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

2-amino-2-methoxypropane-1,3-diol (PubChem CID 6420021) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-amino-2-methoxypropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-methoxypropane-1,3-diol
PubChem CID6420021
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name2-amino-2-methoxypropane-1,3-diol
SMILESCOC(N)(CO)CO
InChIInChI=1S/C4H11NO3/c1-8-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3
InChIKeyXXCSSZGYDKHVIF-UHFFFAOYSA-N
XLogP-1.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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2-amino-2-methylpropane-1,3-diol;azane
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2-amino-2-methylpropane-1,3-diol;hydrate
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CID 141489643
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CID 87410693
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2-methoxybutane-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methoxypropane-1,3-diol?
The IUPAC name of 2-amino-2-methoxypropane-1,3-diol (CID 6420021) is 2-amino-2-methoxypropane-1,3-diol.
What is the SMILES notation for 2-amino-2-methoxypropane-1,3-diol?
The canonical SMILES for 2-amino-2-methoxypropane-1,3-diol is COC(N)(CO)CO.
What is the InChIKey of 2-amino-2-methoxypropane-1,3-diol?
The InChIKey is XXCSSZGYDKHVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-8-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3.
What are the key properties of 2-amino-2-methoxypropane-1,3-diol?
2-amino-2-methoxypropane-1,3-diol has a molecular weight of 121.14 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methoxypropane-1,3-diol is sourced from PubChem (CID 6420021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).