(2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile

C9H16N2O — CID 163777025

IUPAC(2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile
SMILESCO[C@H](C#N)CN1CCC[C@@H]1C
InChIInChI=1S/C9H16N2O/c1-8-4-3-5-11(8)7-9(6-10)12-2/h8-9H,3-5,7H2,1-2H3/t8-,9+/m0/s1
InChIKeyMLIYOGADQSLQNR-DTWKUNHWSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds3

About (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile

(2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile (PubChem CID 163777025) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile.

Molecular Properties

Compound Name(2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile
PubChem CID163777025
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile
SMILESCO[C@H](C#N)CN1CCC[C@@H]1C
InChIInChI=1S/C9H16N2O/c1-8-4-3-5-11(8)7-9(6-10)12-2/h8-9H,3-5,7H2,1-2H3/t8-,9+/m0/s1
InChIKeyMLIYOGADQSLQNR-DTWKUNHWSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
1-cyclopropyl-2-(2-methylpyrrolidin-1-yl)ethanol
CID 63905921
2-methoxy-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 106114423
1-(methoxymethyl)-2-methylpyrrolidine
CID 129145290
2-(ethylamino)-4-(2-methylpyrrolidin-1-yl)butanenitrile
CID 63028079
1-[2-(azetidin-3-yl)propyl]-2-methylpyrrolidine
CID 116679483
1-amino-3-(2-methylpyrrolidin-1-yl)propan-2-ol;2-methylpropane
CID 143050174
(2R)-2-methyl-1-prop-2-ynylpyrrolidine
CID 142046543
2-(2-methylpyrrolidin-1-yl)-1-(oxolan-3-yl)ethanol
CID 104752366
(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
CID 126694482
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile?
The IUPAC name of (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile (CID 163777025) is (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile.
What is the SMILES notation for (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile?
The canonical SMILES for (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile is CO[C@H](C#N)CN1CCC[C@@H]1C.
What is the InChIKey of (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile?
The InChIKey is MLIYOGADQSLQNR-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8-4-3-5-11(8)7-9(6-10)12-2/h8-9H,3-5,7H2,1-2H3/t8-,9+/m0/s1.
What are the key properties of (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile?
(2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-3-[(2S)-2-methylpyrrolidin-1-yl]propanenitrile is sourced from PubChem (CID 163777025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).