(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide

C10H20N2O — CID 129035159

IUPAC(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-6-5-8(7-12)9(13)11-4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKeyKDELSJFGNNAETK-MRVPVSSYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds1

About (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide

(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide (PubChem CID 129035159) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
PubChem CID129035159
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2O/c1-10(2,3)12-6-5-8(7-12)9(13)11-4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChIKeyKDELSJFGNNAETK-MRVPVSSYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
CID 67293974
1-[5-[(1-tert-butylpyrrolidin-3-yl)amino]-5-hydroxy-2-methylpentan-2-yl]-N-methylpyrrolidine-3-carboxamide
CID 139573947
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240
(3R)-N-methyl-1-propan-2-ylpyrrolidine-3-carboxamide
CID 130272211
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-formyl-N-methylpyrrolidine-3-carboxamide
CID 87281380
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide
CID 55213669
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide (CID 129035159) is (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide is CNC(=O)[C@@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide?
The InChIKey is KDELSJFGNNAETK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-10(2,3)12-6-5-8(7-12)9(13)11-4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide?
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide has a molecular weight of 184.28 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 129035159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).