(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol

C10H19NO2 — CID 126987725

IUPAC(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
SMILESCC1CC1CN1C[C@H](O)C[C@H]1CO
InChIInChI=1S/C10H19NO2/c1-7-2-8(7)4-11-5-10(13)3-9(11)6-12/h7-10,12-13H,2-6H2,1H3/t7?,8?,9-,10+/m0/s1
InChIKeyOKKFKAPQSKCAPG-HORUIINNSA-N
MW185.27 g/mol
LogP0.07
Rot. Bonds3

About (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol

(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol (PubChem CID 126987725) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
PubChem CID126987725
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol
SMILESCC1CC1CN1C[C@H](O)C[C@H]1CO
InChIInChI=1S/C10H19NO2/c1-7-2-8(7)4-11-5-10(13)3-9(11)6-12/h7-10,12-13H,2-6H2,1H3/t7?,8?,9-,10+/m0/s1
InChIKeyOKKFKAPQSKCAPG-HORUIINNSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-1-(2-chloroprop-2-enyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 131084047
(3S,5S)-5-(hydroxymethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 130621127
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
CID 134574205
(3R,5S)-1-(2,2-difluoroethyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 130706866
(3R,5S)-1-hexadecyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 156737514
(3S,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol;hydrochloride
CID 133109107
ethane;(3R,5R)-5-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 142979346
3-[(4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 69419168
3-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 68644224
(3R,5S)-1-hydroxy-5-(hydroxymethyl)pyrrolidin-3-ol
CID 169224677
(3R,5R)-1-tert-butyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 59596527
N-[6-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexyl]acetamide
CID 157463961

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol (CID 126987725) is (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol is CC1CC1CN1C[C@H](O)C[C@H]1CO.
What is the InChIKey of (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol?
The InChIKey is OKKFKAPQSKCAPG-HORUIINNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-2-8(7)4-11-5-10(13)3-9(11)6-12/h7-10,12-13H,2-6H2,1H3/t7?,8?,9-,10+/m0/s1.
What are the key properties of (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol?
(3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol has a molecular weight of 185.27 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 (3R,5S)-5-(hydroxymethyl)-1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 126987725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).