(2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide

C9H16N2O3 — CID 10932470

IUPAC(2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C9H16N2O3/c1-7(12)11-6-4-5-8(11)9(13)10(2)14-3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyZSBSIRWSTSHSPA-QMMMGPOBSA-N
MW200.24 g/mol
LogP0.02
Rot. Bonds2

About (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide

(2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 10932470) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID10932470
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C9H16N2O3/c1-7(12)11-6-4-5-8(11)9(13)10(2)14-3/h8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyZSBSIRWSTSHSPA-QMMMGPOBSA-N
XLogP0.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide (CID 10932470) is (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide is CON(C)C(=O)[C@@H]1CCCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ZSBSIRWSTSHSPA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(12)11-6-4-5-8(11)9(13)10(2)14-3/h8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 200.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10932470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).