(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide

C11H21N3O3 — CID 162695443

IUPAC(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@@H](N)C[C@@H]1CC(C)(C)NC1=O
InChIInChI=1S/C11H21N3O3/c1-11(2)6-7(9(15)13-11)5-8(12)10(16)14(3)17-4/h7-8H,5-6,12H2,1-4H3,(H,13,15)/t7-,8+/m1/s1
InChIKeyWSUHXRRBXRBHTB-SFYZADRCSA-N
MW243.31 g/mol
LogP-0.36
Rot. Bonds4

About (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide

(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide (PubChem CID 162695443) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
PubChem CID162695443
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide
SMILESCON(C)C(=O)[C@@H](N)C[C@@H]1CC(C)(C)NC1=O
InChIInChI=1S/C11H21N3O3/c1-11(2)6-7(9(15)13-11)5-8(12)10(16)14(3)17-4/h7-8H,5-6,12H2,1-4H3,(H,13,15)/t7-,8+/m1/s1
InChIKeyWSUHXRRBXRBHTB-SFYZADRCSA-N
XLogP-0.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide (CID 162695443) is (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide is CON(C)C(=O)[C@@H](N)C[C@@H]1CC(C)(C)NC1=O.
What is the InChIKey of (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide?
The InChIKey is WSUHXRRBXRBHTB-SFYZADRCSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2)6-7(9(15)13-11)5-8(12)10(16)14(3)17-4/h7-8H,5-6,12H2,1-4H3,(H,13,15)/t7-,8+/m1/s1.
What are the key properties of (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide?
(2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide has a molecular weight of 243.31 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]-N-methoxy-N-methylpropanamide is sourced from PubChem (CID 162695443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).