(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide

C13H25N3O — CID 126550954

IUPAC(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide
SMILESC[C@H]1CN(C(C)(C)C)C[C@@H]1C(=O)NC1CNC1
InChIInChI=1S/C13H25N3O/c1-9-7-16(13(2,3)4)8-11(9)12(17)15-10-5-14-6-10/h9-11,14H,5-8H2,1-4H3,(H,15,17)/t9-,11-/m0/s1
InChIKeyHMDCBOBNMJXGSM-ONGXEEELSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds2

About (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide

(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide (PubChem CID 126550954) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide
PubChem CID126550954
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide
SMILESC[C@H]1CN(C(C)(C)C)C[C@@H]1C(=O)NC1CNC1
InChIInChI=1S/C13H25N3O/c1-9-7-16(13(2,3)4)8-11(9)12(17)15-10-5-14-6-10/h9-11,14H,5-8H2,1-4H3,(H,15,17)/t9-,11-/m0/s1
InChIKeyHMDCBOBNMJXGSM-ONGXEEELSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
CID 164661940
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 131204171
[(3S)-1-tert-butyl-4-methylpyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 177166859
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
N-[(1-tert-butylazetidin-3-yl)methyl]azetidine-3-carboxamide
CID 89460434
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
1-[(4S)-1-tert-butyl-4-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-2,2-dimethylpropan-1-one
CID 154971064
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
N-(1-cyclopropylpiperidin-4-yl)-4-methylpyrrolidine-3-carboxamide
CID 55228814

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide (CID 126550954) is (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide is C[C@H]1CN(C(C)(C)C)C[C@@H]1C(=O)NC1CNC1.
What is the InChIKey of (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide?
The InChIKey is HMDCBOBNMJXGSM-ONGXEEELSA-N. The full InChI is InChI=1S/C13H25N3O/c1-9-7-16(13(2,3)4)8-11(9)12(17)15-10-5-14-6-10/h9-11,14H,5-8H2,1-4H3,(H,15,17)/t9-,11-/m0/s1.
What are the key properties of (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide?
(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 126550954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).