2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide

C8H16N2O2 — CID 139932190

IUPAC2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1C[C@H](OC)CN1
InChIInChI=1S/C8H16N2O2/c1-9-8(11)4-6-3-7(12-2)5-10-6/h6-7,10H,3-5H2,1-2H3,(H,9,11)/t6-,7-/m0/s1
InChIKeyJCRXRFBDFKICAN-BQBZGAKWSA-N
MW172.23 g/mol
LogP-0.50
Rot. Bonds3

About 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide

2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide (PubChem CID 139932190) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide
PubChem CID139932190
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1C[C@H](OC)CN1
InChIInChI=1S/C8H16N2O2/c1-9-8(11)4-6-3-7(12-2)5-10-6/h6-7,10H,3-5H2,1-2H3,(H,9,11)/t6-,7-/m0/s1
InChIKeyJCRXRFBDFKICAN-BQBZGAKWSA-N
XLogP-0.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide (CID 139932190) is 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide is CNC(=O)C[C@@H]1C[C@H](OC)CN1.
What is the InChIKey of 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide?
The InChIKey is JCRXRFBDFKICAN-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-8(11)4-6-3-7(12-2)5-10-6/h6-7,10H,3-5H2,1-2H3,(H,9,11)/t6-,7-/m0/s1.
What are the key properties of 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide?
2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide has a molecular weight of 172.23 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 139932190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).