N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide

C13H25N3O — CID 91922773

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)C1CCC1
InChIInChI=1S/C13H25N3O/c1-15(2)7-11-8-16(3)9-12(11)14-13(17)10-5-4-6-10/h10-12H,4-9H2,1-3H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyZVBDURKQZFMBLY-VXGBXAGGSA-N
MW239.36 g/mol
LogP0.39
Rot. Bonds4

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide (PubChem CID 91922773) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide
PubChem CID91922773
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide
SMILESCN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)C1CCC1
InChIInChI=1S/C13H25N3O/c1-15(2)7-11-8-16(3)9-12(11)14-13(17)10-5-4-6-10/h10-12H,4-9H2,1-3H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyZVBDURKQZFMBLY-VXGBXAGGSA-N
XLogP0.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide (CID 91922773) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide is CN(C)C[C@@H]1CN(C)C[C@H]1NC(=O)C1CCC1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide?
The InChIKey is ZVBDURKQZFMBLY-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H25N3O/c1-15(2)7-11-8-16(3)9-12(11)14-13(17)10-5-4-6-10/h10-12H,4-9H2,1-3H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 91922773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).