(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol

C7H17NO3 — CID 65036137

IUPAC(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
SMILESCC(CO)CNC[C@H](O)CO
InChIInChI=1S/C7H17NO3/c1-6(4-9)2-8-3-7(11)5-10/h6-11H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyPDWNILAGUQEMIZ-MLWJPKLSSA-N
MW163.22 g/mol
LogP-1.44
Rot. Bonds6

About (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol

(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol (PubChem CID 65036137) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
PubChem CID65036137
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
SMILESCC(CO)CNC[C@H](O)CO
InChIInChI=1S/C7H17NO3/c1-6(4-9)2-8-3-7(11)5-10/h6-11H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyPDWNILAGUQEMIZ-MLWJPKLSSA-N
XLogP-1.44
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-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

3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
3-[[4-(aminomethyl)-2-methylhexyl]amino]propane-1,2-diol
CID 58586497
3-(2,2-dimethoxyethylamino)propane-1,2-diol
CID 60650308
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
3-(1-hydroxyethylamino)-2-methylpropan-1-ol
CID 57165615
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
2-methyl-3-(methylamino)propan-1-ol
CID 23264324

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol?
The IUPAC name of (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol (CID 65036137) is (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol?
The canonical SMILES for (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol is CC(CO)CNC[C@H](O)CO.
What is the InChIKey of (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol?
The InChIKey is PDWNILAGUQEMIZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H17NO3/c1-6(4-9)2-8-3-7(11)5-10/h6-11H,2-5H2,1H3/t6?,7-/m0/s1.
What are the key properties of (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol?
(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol has a molecular weight of 163.22 g/mol, XLogP of -1.44, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol is sourced from PubChem (CID 65036137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).