(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol

C10H19NO2 — CID 67300075

IUPAC(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol
SMILESCC1(O[C@H]2CNCC2O)CCCC1
InChIInChI=1S/C10H19NO2/c1-10(4-2-3-5-10)13-9-7-11-6-8(9)12/h8-9,11-12H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyXKVUPKNUYUJOAR-GKAPJAKFSA-N
MW185.27 g/mol
LogP0.67
Rot. Bonds2

About (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol

(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol (PubChem CID 67300075) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol.

Molecular Properties

Compound Name(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol
PubChem CID67300075
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol
SMILESCC1(O[C@H]2CNCC2O)CCCC1
InChIInChI=1S/C10H19NO2/c1-10(4-2-3-5-10)13-9-7-11-6-8(9)12/h8-9,11-12H,2-7H2,1H3/t8?,9-/m0/s1
InChIKeyXKVUPKNUYUJOAR-GKAPJAKFSA-N
XLogP0.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol?
The IUPAC name of (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol (CID 67300075) is (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol.
What is the SMILES notation for (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol?
The canonical SMILES for (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol is CC1(O[C@H]2CNCC2O)CCCC1.
What is the InChIKey of (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol?
The InChIKey is XKVUPKNUYUJOAR-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(4-2-3-5-10)13-9-7-11-6-8(9)12/h8-9,11-12H,2-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol?
(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol has a molecular weight of 185.27 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol is sourced from PubChem (CID 67300075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).