[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol

C8H17NO2 — CID 40501805

IUPAC[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol
SMILESCOCCN1CC[C@H](CO)C1
InChIInChI=1S/C8H17NO2/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyZVBJMUVVMBASLP-QMMMGPOBSA-N
MW159.23 g/mol
LogP-0.05
Rot. Bonds4

About [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol

[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol (PubChem CID 40501805) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol
PubChem CID40501805
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol
SMILESCOCCN1CC[C@H](CO)C1
InChIInChI=1S/C8H17NO2/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyZVBJMUVVMBASLP-QMMMGPOBSA-N
XLogP-0.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol (CID 40501805) is [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol is COCCN1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol?
The InChIKey is ZVBJMUVVMBASLP-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO2/c1-11-5-4-9-3-2-8(6-9)7-10/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol?
[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol has a molecular weight of 159.23 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 40501805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).