(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol

C12H23NO2 — CID 103160998

IUPAC(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
SMILESOC(CC1CCCC1)CN1CC[C@H](O)C1
InChIInChI=1S/C12H23NO2/c14-11-5-6-13(8-11)9-12(15)7-10-3-1-2-4-10/h10-12,14-15H,1-9H2/t11-,12?/m0/s1
InChIKeyISSJBVHRZSIOLS-PXYINDEMSA-N
MW213.32 g/mol
LogP0.99
Rot. Bonds4

About (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol

(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol (PubChem CID 103160998) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
PubChem CID103160998
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
SMILESOC(CC1CCCC1)CN1CC[C@H](O)C1
InChIInChI=1S/C12H23NO2/c14-11-5-6-13(8-11)9-12(15)7-10-3-1-2-4-10/h10-12,14-15H,1-9H2/t11-,12?/m0/s1
InChIKeyISSJBVHRZSIOLS-PXYINDEMSA-N
XLogP0.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol
CID 103160997
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
1-cyclopentyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 103160187
1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylpiperidin-4-ol
CID 103161296
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815
1-(3-cyclopentyl-2-hydroxypropyl)piperidine-4-carboxylic acid
CID 103159267
1-(2-hydroxy-3-methoxypropyl)pyrrolidin-3-ol
CID 63930667
1-cyclopentyl-3-[4-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103160053
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
2-[1-(3-cyclopentyl-2-hydroxypropyl)piperidin-4-yl]acetic acid
CID 103159436
1-cyclopentyl-3-(2,6-dimethylthiomorpholin-4-yl)propan-2-ol
CID 103160060
N-[1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-yl]acetamide
CID 103160184

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol (CID 103160998) is (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol is OC(CC1CCCC1)CN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol?
The InChIKey is ISSJBVHRZSIOLS-PXYINDEMSA-N. The full InChI is InChI=1S/C12H23NO2/c14-11-5-6-13(8-11)9-12(15)7-10-3-1-2-4-10/h10-12,14-15H,1-9H2/t11-,12?/m0/s1.
What are the key properties of (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol?
(3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol has a molecular weight of 213.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidin-3-ol is sourced from PubChem (CID 103160998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).