(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide

C11H22N2O2 — CID 89401756

IUPAC(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13-8-6-7-9(13)10(14)12(4)15-5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyCHBCBWRMVDQUPF-SECBINFHSA-N
MW214.31 g/mol
LogP1.27
Rot. Bonds2

About (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide

(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 89401756) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID89401756
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CCCN1C(C)(C)C
InChIInChI=1S/C11H22N2O2/c1-11(2,3)13-8-6-7-9(13)10(14)12(4)15-5/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyCHBCBWRMVDQUPF-SECBINFHSA-N
XLogP1.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.27
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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Related Compounds

1-tert-butyl-N,N-dimethylpiperidine-2-carboxamide
CID 58877794
tert-butyl (2R)-2-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 10635916
1-tert-butylpyrrolidine-2-carbonyl fluoride
CID 87646722
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
(2S)-1-tert-butyl-N-propan-2-ylpyrrolidine-2-carboxamide
CID 58492314
tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate;methane;N-methoxymethanamine;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;sulfane;hydrochloride
CID 167535841
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
(3,3-dimethyl-2-oxobutyl) 1-tert-butylpyrrolidine-2-carboxylate
CID 90273652
3-[methoxy(methyl)carbamoyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 90099642
magnesium;tert-butyl (2S)-2-acetylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate;carbanide;oxolane;sulfane;bromide
CID 167558005
2-tert-butyl-N-methoxy-N-methylpyrrolidine-1-carboxamide
CID 155201079

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide (CID 89401756) is (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide is CON(C)C(=O)[C@H]1CCCN1C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CHBCBWRMVDQUPF-SECBINFHSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)13-8-6-7-9(13)10(14)12(4)15-5/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide?
(2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-tert-butyl-N-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 89401756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).