2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol

C7H20N2O3 — CID 87217898

IUPAC2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
SMILESCC(N)(CO)CO.CC(O)CN
InChIInChI=1S/C4H11NO2.C3H9NO/c1-4(5,2-6)3-7;1-3(5)2-4/h6-7H,2-3,5H2,1H3;3,5H,2,4H2,1H3
InChIKeyNATOGXHNYQTSSG-UHFFFAOYSA-N
MW180.25 g/mol
LogP-1.99
Rot. Bonds3

About 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol

2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol (PubChem CID 87217898) has the molecular formula C7H20N2O3 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
PubChem CID87217898
Molecular FormulaC7H20N2O3
Molecular Weight180.25 g/mol
Exact Mass180.15
IUPAC Name2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
SMILESCC(N)(CO)CO.CC(O)CN
InChIInChI=1S/C4H11NO2.C3H9NO/c1-4(5,2-6)3-7;1-3(5)2-4/h6-7H,2-3,5H2,1H3;3,5H,2,4H2,1H3
InChIKeyNATOGXHNYQTSSG-UHFFFAOYSA-N
XLogP-1.99
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-1.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol (CID 87217898) is 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol is CC(N)(CO)CO.CC(O)CN.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol?
The InChIKey is NATOGXHNYQTSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C3H9NO/c1-4(5,2-6)3-7;1-3(5)2-4/h6-7H,2-3,5H2,1H3;3,5H,2,4H2,1H3.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol?
2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol has a molecular weight of 180.25 g/mol, XLogP of -1.99, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol is sourced from PubChem (CID 87217898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).