(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine

C10H21NO — CID 89358409

IUPAC(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
SMILESCOC[C@H]1CCN(CC(C)C)C1
InChIInChI=1S/C10H21NO/c1-9(2)6-11-5-4-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyQJTAJRAMRNCXPR-JTQLQIEISA-N
MW171.28 g/mol
LogP1.61
Rot. Bonds4

About (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine

(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine (PubChem CID 89358409) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
PubChem CID89358409
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
SMILESCOC[C@H]1CCN(CC(C)C)C1
InChIInChI=1S/C10H21NO/c1-9(2)6-11-5-4-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyQJTAJRAMRNCXPR-JTQLQIEISA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64582008
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropylamino)propan-2-ol
CID 113317616
7-[3-(methoxymethyl)pyrrolidin-1-yl]-6-methylheptan-2-amine
CID 65296099
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
N-ethyl-1-[3-(methoxymethyl)pyrrolidin-1-yl]pentan-2-amine
CID 64569701
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3-(methoxymethyl)pyrrolidine
CID 65015225
1-[3-(methoxymethyl)pyrrolidin-1-yl]-N-propylpentan-2-amine
CID 64569510
4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 64568719
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine (CID 89358409) is (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine is COC[C@H]1CCN(CC(C)C)C1.
What is the InChIKey of (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine?
The InChIKey is QJTAJRAMRNCXPR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)6-11-5-4-10(7-11)8-12-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine?
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 89358409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).