(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride

C7H16ClNO2 — CID 167735573

IUPAC(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride
SMILESCC(C)(O)[C@H]1C[C@H](O)CN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,10)6-3-5(9)4-8-6;/h5-6,8-10H,3-4H2,1-2H3;1H/t5-,6+;/m0./s1
InChIKeyXECJIATUVKSPRY-RIHPBJNCSA-N
MW181.66 g/mol
LogP-0.10
Rot. Bonds1

About (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride

(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride (PubChem CID 167735573) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride
PubChem CID167735573
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride
SMILESCC(C)(O)[C@H]1C[C@H](O)CN1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-7(2,10)6-3-5(9)4-8-6;/h5-6,8-10H,3-4H2,1-2H3;1H/t5-,6+;/m0./s1
InChIKeyXECJIATUVKSPRY-RIHPBJNCSA-N
XLogP-0.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride?
The IUPAC name of (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride (CID 167735573) is (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride is CC(C)(O)[C@H]1C[C@H](O)CN1.Cl.
What is the InChIKey of (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride?
The InChIKey is XECJIATUVKSPRY-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-7(2,10)6-3-5(9)4-8-6;/h5-6,8-10H,3-4H2,1-2H3;1H/t5-,6+;/m0./s1.
What are the key properties of (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride?
(3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-(2-hydroxypropan-2-yl)pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 167735573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).