(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol

C10H21NO3 — CID 103182790

IUPAC(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
SMILESCOCCCOCCN1CC[C@H](O)C1
InChIInChI=1S/C10H21NO3/c1-13-6-2-7-14-8-5-11-4-3-10(12)9-11/h10,12H,2-9H2,1H3/t10-/m0/s1
InChIKeyQFGIAHRFLBGDHV-JTQLQIEISA-N
MW203.28 g/mol
LogP0.11
Rot. Bonds7

About (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol

(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol (PubChem CID 103182790) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
PubChem CID103182790
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol
SMILESCOCCCOCCN1CC[C@H](O)C1
InChIInChI=1S/C10H21NO3/c1-13-6-2-7-14-8-5-11-4-3-10(12)9-11/h10,12H,2-9H2,1H3/t10-/m0/s1
InChIKeyQFGIAHRFLBGDHV-JTQLQIEISA-N
XLogP0.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-3-ol
CID 103412041
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
(3S,4R)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidine-3,4-diol
CID 103182797
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
1-(5-methoxypentyl)piperidin-3-ol
CID 110932736
1-[2-(3-methoxypropoxy)ethyl]piperidin-4-amine
CID 103177226
(3S)-1-[3-[3-[(3S)-3-hydroxypiperidin-1-yl]propoxy]propyl]piperidin-3-ol
CID 142756274
1-(4-methoxybutyl)azetidin-3-ol
CID 115773115
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine
CID 103181598
1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
CID 103177262
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
(3R)-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidin-3-ol
CID 59334347

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol (CID 103182790) is (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol is COCCCOCCN1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol?
The InChIKey is QFGIAHRFLBGDHV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO3/c1-13-6-2-7-14-8-5-11-4-3-10(12)9-11/h10,12H,2-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol?
(3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol has a molecular weight of 203.28 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3-methoxypropoxy)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 103182790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).