(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol

C12H27NO3 — CID 122488512

IUPAC(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol
SMILESCC(C)NC[C@@H](COC(C)C)O[C@@H](C)CO
InChIInChI=1S/C12H27NO3/c1-9(2)13-6-12(8-15-10(3)4)16-11(5)7-14/h9-14H,6-8H2,1-5H3/t11-,12-/m0/s1
InChIKeyOPPRMLBEQYUQAZ-RYUDHWBXSA-N
MW233.35 g/mol
LogP1.18
Rot. Bonds9

About (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol

(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol (PubChem CID 122488512) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol
PubChem CID122488512
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol
SMILESCC(C)NC[C@@H](COC(C)C)O[C@@H](C)CO
InChIInChI=1S/C12H27NO3/c1-9(2)13-6-12(8-15-10(3)4)16-11(5)7-14/h9-14H,6-8H2,1-5H3/t11-,12-/m0/s1
InChIKeyOPPRMLBEQYUQAZ-RYUDHWBXSA-N
XLogP1.18
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol?
The IUPAC name of (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol (CID 122488512) is (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol.
What is the SMILES notation for (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol?
The canonical SMILES for (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol is CC(C)NC[C@@H](COC(C)C)O[C@@H](C)CO.
What is the InChIKey of (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol?
The InChIKey is OPPRMLBEQYUQAZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H27NO3/c1-9(2)13-6-12(8-15-10(3)4)16-11(5)7-14/h9-14H,6-8H2,1-5H3/t11-,12-/m0/s1.
What are the key properties of (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol?
(2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol has a molecular weight of 233.35 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-1-(propan-2-ylamino)-3-propan-2-yloxypropan-2-yl]oxypropan-1-ol is sourced from PubChem (CID 122488512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).