(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide

C10H19N3O — CID 131204171

IUPAC(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)NC1CN(C)C1
InChIInChI=1S/C10H19N3O/c1-7-3-11-4-9(7)10(14)12-8-5-13(2)6-8/h7-9,11H,3-6H2,1-2H3,(H,12,14)/t7-,9-/m1/s1
InChIKeyNVNYROVWSKFWEM-VXNVDRBHSA-N
MW197.28 g/mol
LogP-0.73
Rot. Bonds2

About (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide

(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide (PubChem CID 131204171) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
PubChem CID131204171
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
SMILESC[C@@H]1CNC[C@H]1C(=O)NC1CN(C)C1
InChIInChI=1S/C10H19N3O/c1-7-3-11-4-9(7)10(14)12-8-5-13(2)6-8/h7-9,11H,3-6H2,1-2H3,(H,12,14)/t7-,9-/m1/s1
InChIKeyNVNYROVWSKFWEM-VXNVDRBHSA-N
XLogP-0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide (CID 131204171) is (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide is C[C@@H]1CNC[C@H]1C(=O)NC1CN(C)C1.
What is the InChIKey of (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide?
The InChIKey is NVNYROVWSKFWEM-VXNVDRBHSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-3-11-4-9(7)10(14)12-8-5-13(2)6-8/h7-9,11H,3-6H2,1-2H3,(H,12,14)/t7-,9-/m1/s1.
What are the key properties of (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide?
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide has a molecular weight of 197.28 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 131204171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).