N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide

C9H15N3O2 — CID 116674814

IUPACN-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(N)=O)=C1CNC1
InChIInChI=1S/C9H15N3O2/c1-6(7-3-11-4-7)9(14)12(2)5-8(10)13/h11H,3-5H2,1-2H3,(H2,10,13)
InChIKeyCZOAEXORQLRRRZ-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.15
Rot. Bonds3

About N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide

N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide (PubChem CID 116674814) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
PubChem CID116674814
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(N)=O)=C1CNC1
InChIInChI=1S/C9H15N3O2/c1-6(7-3-11-4-7)9(14)12(2)5-8(10)13/h11H,3-5H2,1-2H3,(H2,10,13)
InChIKeyCZOAEXORQLRRRZ-UHFFFAOYSA-N
XLogP-1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[2-(ethylamino)-2-oxoethyl]-N-methylpropanamide
CID 116676657
2-(azetidin-3-ylidene)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 116677915
2-(azetidin-3-ylidene)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 116677655
2-(azetidin-3-ylidene)-N-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 116678898
2-(azetidin-3-ylidene)-N-methyl-N-[2-(methylamino)ethyl]propanamide
CID 116678011
2-(azetidin-3-ylidene)-N-methyl-N-(oxan-4-ylmethyl)propanamide
CID 116677920
2-[2-(azetidin-3-ylidene)propanoyl-propan-2-ylamino]acetic acid
CID 116676994
2-(azetidin-3-ylidene)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 116676180
N-(2-amino-2-oxoethyl)-4-ethyl-N-methylpiperidine-4-carboxamide
CID 55220524
2-(azetidin-3-ylidene)-N-(4,4-dimethylcyclohexyl)-N-methylpropanamide
CID 116678457
ethyl 2-[2-(azetidin-3-ylidene)propanoyl-(2-methylpropyl)amino]acetate
CID 116676453
2-(azetidin-3-ylidene)-N-ethyl-N-(2-methylbutyl)propanamide
CID 116678391

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide (CID 116674814) is N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide is CC(C(=O)N(C)CC(N)=O)=C1CNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide?
The InChIKey is CZOAEXORQLRRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(7-3-11-4-7)9(14)12(2)5-8(10)13/h11H,3-5H2,1-2H3,(H2,10,13).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide?
N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide has a molecular weight of 197.24 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(azetidin-3-ylidene)-N-methylpropanamide is sourced from PubChem (CID 116674814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).