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

C12H25N3O2 — CID 91922786

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C
InChIInChI=1S/C12H25N3O2/c1-14(2)7-10-8-15(3)9-11(10)13-12(16)5-6-17-4/h10-11H,5-9H2,1-4H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyDFCOPFGLQJUTKB-GHMZBOCLSA-N
MW243.35 g/mol
LogP-0.37
Rot. Bonds6

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

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 91922786) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID91922786
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C
InChIInChI=1S/C12H25N3O2/c1-14(2)7-10-8-15(3)9-11(10)13-12(16)5-6-17-4/h10-11H,5-9H2,1-4H3,(H,13,16)/t10-,11-/m1/s1
InChIKeyDFCOPFGLQJUTKB-GHMZBOCLSA-N
XLogP-0.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide (CID 91922786) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)N[C@@H]1CN(C)C[C@H]1CN(C)C.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is DFCOPFGLQJUTKB-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-14(2)7-10-8-15(3)9-11(10)13-12(16)5-6-17-4/h10-11H,5-9H2,1-4H3,(H,13,16)/t10-,11-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 243.35 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 91922786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).