(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol

C6H15NO4 — CID 93482173

IUPAC(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
SMILESOC[C@@H](O)CNC[C@@H](O)CO
InChIInChI=1S/C6H15NO4/c8-3-5(10)1-7-2-6(11)4-9/h5-11H,1-4H2/t5-,6+
InChIKeySAMGBMSEBPZABZ-OLQVQODUSA-N
MW165.19 g/mol
LogP-2.72
Rot. Bonds6

About (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol

(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol (PubChem CID 93482173) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
PubChem CID93482173
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
SMILESOC[C@@H](O)CNC[C@@H](O)CO
InChIInChI=1S/C6H15NO4/c8-3-5(10)1-7-2-6(11)4-9/h5-11H,1-4H2/t5-,6+
InChIKeySAMGBMSEBPZABZ-OLQVQODUSA-N
XLogP-2.72
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-[(3-hydroxy-2-methylpropyl)amino]propane-1,2-diol
CID 65036137
3-(2,2-dimethoxyethylamino)propane-1,2-diol
CID 60650308
3-[(2-hydroxy-4,4-dimethylpentyl)amino]propane-1,2-diol
CID 107151993
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
(2R)-3-(2-chloroethylamino)propane-1,2-diol
CID 125498266
2-amino-3-(2,3-dihydroxypropylamino)propanamide
CID 103256231
3-[(3-methoxy-2-methylpropyl)amino]propane-1,2-diol
CID 76929562
3-[[2-hydroxy-3-[(3-hydroxy-2-methylpropyl)amino]propyl]amino]-2-methylpropan-1-ol
CID 88540594
(2S)-3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 131247473
3-(cyclopentylmethylamino)propane-1,2-diol
CID 60900461
3-(but-3-enylamino)propane-1,2-diol
CID 66175706
3-[[(E)-but-2-enyl]amino]propane-1,2-diol
CID 107899064

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol?
The IUPAC name of (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol (CID 93482173) is (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol?
The canonical SMILES for (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol is OC[C@@H](O)CNC[C@@H](O)CO.
What is the InChIKey of (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol?
The InChIKey is SAMGBMSEBPZABZ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H15NO4/c8-3-5(10)1-7-2-6(11)4-9/h5-11H,1-4H2/t5-,6+.
What are the key properties of (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol?
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol has a molecular weight of 165.19 g/mol, XLogP of -2.72, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol is sourced from PubChem (CID 93482173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).