(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol

C9H19NO2 — CID 130621127

IUPAC(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1C[C@@H](O)C[C@H]1CO
InChIInChI=1S/C9H19NO2/c1-7(2)4-10-5-9(12)3-8(10)6-11/h7-9,11-12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyKNIPDCCSYWXYBT-IUCAKERBSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

About (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol

(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 130621127) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID130621127
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CN1C[C@@H](O)C[C@H]1CO
InChIInChI=1S/C9H19NO2/c1-7(2)4-10-5-9(12)3-8(10)6-11/h7-9,11-12H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyKNIPDCCSYWXYBT-IUCAKERBSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-1-(2-methylpropyl)-5-propylpyrrolidin-3-ol
CID 99995289
(3R,5S)-1-(2,2-difluoroethyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 130706866
(3S,5S)-5-butyl-1-(2-methylpropyl)pyrrolidin-3-ol
CID 99995423
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
CID 126987725
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
CID 134574205
1-ethyl-5-(2-methylpropyl)pyrrolidin-3-ol
CID 102568698
(3R,5S)-1-(2-chloroprop-2-enyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 131084047
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
(3R,5R)-1-[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]-5-(hydroxymethyl)pyrrolidin-3-ol
CID 124734947
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
3-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 68644224

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol (CID 130621127) is (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CN1C[C@@H](O)C[C@H]1CO.
What is the InChIKey of (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is KNIPDCCSYWXYBT-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)4-10-5-9(12)3-8(10)6-11/h7-9,11-12H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol?
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 130621127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).