N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide

C9H19N3O2 — CID 21341784

IUPACN-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(CO)N(C)C1
InChIInChI=1S/C9H19N3O2/c1-10-4-9(14)11-7-3-8(6-13)12(2)5-7/h7-8,10,13H,3-6H2,1-2H3,(H,11,14)
InChIKeyMAZSXGLWDOSOJF-UHFFFAOYSA-N
MW201.27 g/mol
LogP-1.61
Rot. Bonds4

About N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide

N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide (PubChem CID 21341784) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide
PubChem CID21341784
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide
SMILESCNCC(=O)NC1CC(CO)N(C)C1
InChIInChI=1S/C9H19N3O2/c1-10-4-9(14)11-7-3-8(6-13)12(2)5-7/h7-8,10,13H,3-6H2,1-2H3,(H,11,14)
InChIKeyMAZSXGLWDOSOJF-UHFFFAOYSA-N
XLogP-1.61
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide;dihydrochloride
CID 119900317
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-4-phenoxybenzamide
CID 50968700
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 50952647
2-(methylamino)-N-(4-methylcyclohexyl)acetamide
CID 24706829
N-(3,3-dimethylcyclobutyl)-2-(methylamino)acetamide
CID 131025424
N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1,8-naphthyridine-2-carboxamide
CID 50969169
N-(1-cyclohexylpiperidin-4-yl)-2-(methylamino)acetamide
CID 120704864
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
4-chloro-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-1-methylindole-2-carboxamide
CID 121494335
N-(1-benzyl-5-methylpyrrolidin-3-yl)-2-(methylamino)acetamide
CID 120705010
4-[[2-(methylamino)acetyl]amino]cyclohexane-1-carboxamide
CID 43698392
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(methylamino)acetamide
CID 83632195

Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide (CID 21341784) is N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide is CNCC(=O)NC1CC(CO)N(C)C1.
What is the InChIKey of N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide?
The InChIKey is MAZSXGLWDOSOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-10-4-9(14)11-7-3-8(6-13)12(2)5-7/h7-8,10,13H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide?
N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide has a molecular weight of 201.27 g/mol, XLogP of -1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 21341784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).