2-amino-2-methylpropane-1,3-diol;hydrate

C4H13NO3 — CID 173189946

IUPAC2-amino-2-methylpropane-1,3-diol;hydrate
SMILESCC(N)(CO)CO.O
InChIInChI=1S/C4H11NO2.H2O/c1-4(5,2-6)3-7;/h6-7H,2-3,5H2,1H3;1H2
InChIKeyGKABHORTMXJPSN-UHFFFAOYSA-N
MW123.15 g/mol
LogP-2.14
Rot. Bonds2

About 2-amino-2-methylpropane-1,3-diol;hydrate

2-amino-2-methylpropane-1,3-diol;hydrate (PubChem CID 173189946) has the molecular formula C4H13NO3 and a molecular weight of 123.15 g/mol. Its IUPAC name is 2-amino-2-methylpropane-1,3-diol;hydrate.

Molecular Properties

Compound Name2-amino-2-methylpropane-1,3-diol;hydrate
PubChem CID173189946
Molecular FormulaC4H13NO3
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name2-amino-2-methylpropane-1,3-diol;hydrate
SMILESCC(N)(CO)CO.O
InChIInChI=1S/C4H11NO2.H2O/c1-4(5,2-6)3-7;/h6-7H,2-3,5H2,1H3;1H2
InChIKeyGKABHORTMXJPSN-UHFFFAOYSA-N
XLogP-2.14
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methylpropane-1,3-diol;azane
CID 172847501
2-amino-2-methylpropane-1,3-diol;propan-2-ol
CID 18519501
2-amino-2-methylpropane-1,3-diol;1-aminopropan-2-ol
CID 87217898
2-amino-2,4-dimethylpentane-1,4-diol
CID 134172713
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2-amino-2-methylpent-4-en-1-ol
CID 55291318
2-amino-4-fluoro-2-methylpent-4-en-1-ol
CID 123426019
CID 87364467
CID 87364467
2-amino-2-methanidylpropan-1-ol;gold(1+)
CID 88844237
(2S)-2-amino-2,3,3-trimethylbutan-1-ol
CID 45072298
2,2-bis(2-aminopropan-2-yl)propane-1,3-diol
CID 88802194
[(2R)-2-amino-3-hydroxy-2-methylpropyl] acetate
CID 10844523

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methylpropane-1,3-diol;hydrate?
The IUPAC name of 2-amino-2-methylpropane-1,3-diol;hydrate (CID 173189946) is 2-amino-2-methylpropane-1,3-diol;hydrate.
What is the SMILES notation for 2-amino-2-methylpropane-1,3-diol;hydrate?
The canonical SMILES for 2-amino-2-methylpropane-1,3-diol;hydrate is CC(N)(CO)CO.O.
What is the InChIKey of 2-amino-2-methylpropane-1,3-diol;hydrate?
The InChIKey is GKABHORTMXJPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.H2O/c1-4(5,2-6)3-7;/h6-7H,2-3,5H2,1H3;1H2.
What are the key properties of 2-amino-2-methylpropane-1,3-diol;hydrate?
2-amino-2-methylpropane-1,3-diol;hydrate has a molecular weight of 123.15 g/mol, XLogP of -2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methylpropane-1,3-diol;hydrate is sourced from PubChem (CID 173189946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).