(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide

C9H18N2O2 — CID 155262966

IUPAC(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide
SMILESCO[C@H](C1CCCN1)[C@H](C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(9(10)12)8(13-2)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H2,10,12)/t6-,7?,8-/m0/s1
InChIKeyYLYDSZXUQRIUIR-PPSBICQBSA-N
MW186.25 g/mol
LogP-0.13
Rot. Bonds4

About (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide

(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide (PubChem CID 155262966) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide
PubChem CID155262966
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide
SMILESCO[C@H](C1CCCN1)[C@H](C)C(N)=O
InChIInChI=1S/C9H18N2O2/c1-6(9(10)12)8(13-2)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H2,10,12)/t6-,7?,8-/m0/s1
InChIKeyYLYDSZXUQRIUIR-PPSBICQBSA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide?
The IUPAC name of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide (CID 155262966) is (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide.
What is the SMILES notation for (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide?
The canonical SMILES for (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide is CO[C@H](C1CCCN1)[C@H](C)C(N)=O.
What is the InChIKey of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide?
The InChIKey is YLYDSZXUQRIUIR-PPSBICQBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(9(10)12)8(13-2)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H2,10,12)/t6-,7?,8-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide?
(2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide has a molecular weight of 186.25 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2-methyl-3-pyrrolidin-2-ylpropanamide is sourced from PubChem (CID 155262966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).