2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol

C7H17NO4 — CID 107852675

IUPAC2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
SMILESC[C@@H](O)CNC(CO)(CO)CO
InChIInChI=1S/C7H17NO4/c1-6(12)2-8-7(3-9,4-10)5-11/h6,8-12H,2-5H2,1H3/t6-/m1/s1
InChIKeyOJJARPXPLHHWQQ-ZCFIWIBFSA-N
MW179.22 g/mol
LogP-2.33
Rot. Bonds6

About 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol

2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol (PubChem CID 107852675) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
PubChem CID107852675
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol
SMILESC[C@@H](O)CNC(CO)(CO)CO
InChIInChI=1S/C7H17NO4/c1-6(12)2-8-7(3-9,4-10)5-11/h6,8-12H,2-5H2,1H3/t6-/m1/s1
InChIKeyOJJARPXPLHHWQQ-ZCFIWIBFSA-N
XLogP-2.33
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-2.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dihydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 171384753
2-(hydroxymethyl)-2-(2-methylbutylamino)propane-1,3-diol
CID 107850968
(2S)-1-(3-methylpentan-3-ylamino)propan-2-ol
CID 106329053
2-(hydroxymethyl)-2-[(2-hydroxy-3-methylsulfonylpropyl)amino]propane-1,3-diol
CID 118459124
2-ethyl-2-(2-methylbutylamino)propane-1,3-diol
CID 103897103
2-(1-hydroxyethylamino)-2-(hydroxymethyl)propane-1,3-diol
CID 57265452
1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propan-2-yl sulfite
CID 138635010
2-[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol;2-[[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-hydroxypropyl]amino]-2-methylpropane-1,3-diol;2-[[2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propyl]amino]-2-methylpropan-1-ol
CID 158285222
2-ethyl-2-(2-ethylbutylamino)butan-1-ol
CID 62517481
1-(tert-butylamino)propan-2-ol;formic acid
CID 158906125
2-(2,2-difluoroethylamino)-2-ethylbutan-1-ol
CID 62518519
2-(2-hydroxypropylamino)-2-methylpropanoic acid
CID 19816225

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol (CID 107852675) is 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol is C[C@@H](O)CNC(CO)(CO)CO.
What is the InChIKey of 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol?
The InChIKey is OJJARPXPLHHWQQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H17NO4/c1-6(12)2-8-7(3-9,4-10)5-11/h6,8-12H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol?
2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol has a molecular weight of 179.22 g/mol, XLogP of -2.33, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[[(2R)-2-hydroxypropyl]amino]propane-1,3-diol is sourced from PubChem (CID 107852675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).