(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol

C12H27NO4 — CID 38999921

IUPAC(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CNC[C@@H](O)COC(C)C
InChIInChI=1S/C12H27NO4/c1-9(2)16-7-11(14)5-13-6-12(15)8-17-10(3)4/h9-15H,5-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyJIHMZPZWXVNCKI-VXGBXAGGSA-N
MW249.35 g/mol
LogP0.15
Rot. Bonds10

About (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol

(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 38999921) has the molecular formula C12H27NO4 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID38999921
Molecular FormulaC12H27NO4
Molecular Weight249.35 g/mol
Exact Mass249.19
IUPAC Name(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@H](O)CNC[C@@H](O)COC(C)C
InChIInChI=1S/C12H27NO4/c1-9(2)16-7-11(14)5-13-6-12(15)8-17-10(3)4/h9-15H,5-8H2,1-4H3/t11-,12-/m1/s1
InChIKeyJIHMZPZWXVNCKI-VXGBXAGGSA-N
XLogP0.15
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]acetic acid
CID 63989473
1-(3-aminopropylamino)-3-propan-2-yloxypropan-2-ol
CID 62273506
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
2-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-N,N-dimethylacetamide
CID 60901800
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[(4-chlorophenyl)methylamino]-3-propan-2-yloxypropan-2-ol
CID 60632998
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-propan-2-yloxypropan-2-ol
CID 62977059

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol (CID 38999921) is (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@H](O)CNC[C@@H](O)COC(C)C.
What is the InChIKey of (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is JIHMZPZWXVNCKI-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H27NO4/c1-9(2)16-7-11(14)5-13-6-12(15)8-17-10(3)4/h9-15H,5-8H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol?
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 0.15, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 38999921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).