N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide

C9H17N3O2 — CID 60973782

IUPACN-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN1C(=O)C(=O)NCCN
InChIInChI=1S/C9H17N3O2/c1-7-3-2-6-12(7)9(14)8(13)11-5-4-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyYUYFNHHKEIAVIG-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.93
Rot. Bonds2

About N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide

N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide (PubChem CID 60973782) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide
PubChem CID60973782
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC NameN-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide
SMILESCC1CCCN1C(=O)C(=O)NCCN
InChIInChI=1S/C9H17N3O2/c1-7-3-2-6-12(7)9(14)8(13)11-5-4-10/h7H,2-6,10H2,1H3,(H,11,13)
InChIKeyYUYFNHHKEIAVIG-UHFFFAOYSA-N
XLogP-0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 62330298
N-(2-hydroxyethyl)-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523374
N-(2-aminoethyl)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoacetamide
CID 79931298
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
ethyl 2-(2-methylpyrrolidin-1-yl)-2-oxoacetate
CID 60973596
N-[(4-methylphenyl)methyl]-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518109
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
N-(2-aminoethyl)-2-methyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 82508742
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
2-(2-methylpiperidin-1-yl)-2-oxo-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 108520273
tert-butyl N-[4-(2-methylpyrrolidin-1-yl)-4-oxobutyl]carbamate
CID 67102250

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide (CID 60973782) is N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide is CC1CCCN1C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide?
The InChIKey is YUYFNHHKEIAVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-3-2-6-12(7)9(14)8(13)11-5-4-10/h7H,2-6,10H2,1H3,(H,11,13).
What are the key properties of N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide?
N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide has a molecular weight of 199.25 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2-methylpyrrolidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 60973782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).