N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide

C8H16N4O2 — CID 79162050

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CC(N)=NO)C(=O)N1CCCC1
InChIInChI=1S/C8H16N4O2/c1-11(6-7(9)10-14)8(13)12-4-2-3-5-12/h14H,2-6H2,1H3,(H2,9,10)
InChIKeyBUKGUDYWPKBSLW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.12
Rot. Bonds2

About N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 79162050) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID79162050
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCN(CC(N)=NO)C(=O)N1CCCC1
InChIInChI=1S/C8H16N4O2/c1-11(6-7(9)10-14)8(13)12-4-2-3-5-12/h14H,2-6H2,1H3,(H2,9,10)
InChIKeyBUKGUDYWPKBSLW-UHFFFAOYSA-N
XLogP-0.12
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-methylazepane-1-carboxamide
CID 79152042
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
N-(2-amino-2-hydroxyiminoethyl)-N-methylcyclobutanecarboxamide
CID 76929440
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
CID 116657967
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
N-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 68606002
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
N-(2-amino-2-hydroxyiminoethyl)-N,2,2-trimethylpropanamide
CID 76928995
N-(2-amino-2-hydroxyiminoethyl)-N,1-dimethylcyclohexane-1-carboxamide
CID 106828686
N-(3-amino-2,2-dimethylpropyl)-N-methylpyrrolidine-1-carboxamide
CID 79652128

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide (CID 79162050) is N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide is CN(CC(N)=NO)C(=O)N1CCCC1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is BUKGUDYWPKBSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-11(6-7(9)10-14)8(13)12-4-2-3-5-12/h14H,2-6H2,1H3,(H2,9,10).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 200.24 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79162050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).