2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol

C7H20N2O3 — CID 19016942

IUPAC2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol
SMILESCC(C)(N)CO.NC(CO)CO
InChIInChI=1S/C4H11NO.C3H9NO2/c1-4(2,5)3-6;4-3(1-5)2-6/h6H,3,5H2,1-2H3;3,5-6H,1-2,4H2
InChIKeyDKXVMTNNRUUQRV-UHFFFAOYSA-N
MW180.25 g/mol
LogP-1.99
Rot. Bonds3

About 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol

2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol (PubChem CID 19016942) has the molecular formula C7H20N2O3 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol
PubChem CID19016942
Molecular FormulaC7H20N2O3
Molecular Weight180.25 g/mol
Exact Mass180.15
IUPAC Name2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol
SMILESCC(C)(N)CO.NC(CO)CO
InChIInChI=1S/C4H11NO.C3H9NO2/c1-4(2,5)3-6;4-3(1-5)2-6/h6H,3,5H2,1-2H3;3,5-6H,1-2,4H2
InChIKeyDKXVMTNNRUUQRV-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-methylpropan-1-ol;2-aminopropane-1,3-diol?
The IUPAC name of 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol (CID 19016942) is 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol.
What is the SMILES notation for 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol?
The canonical SMILES for 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol is CC(C)(N)CO.NC(CO)CO.
What is the InChIKey of 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol?
The InChIKey is DKXVMTNNRUUQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C3H9NO2/c1-4(2,5)3-6;4-3(1-5)2-6/h6H,3,5H2,1-2H3;3,5-6H,1-2,4H2.
What are the key properties of 2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol?
2-amino-2-methylpropan-1-ol;2-aminopropane-1,3-diol 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-methylpropan-1-ol;2-aminopropane-1,3-diol is sourced from PubChem (CID 19016942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).