2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide

C10H14N2O4 — CID 58186098

IUPAC2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H14N2O4/c1-6(2)9(14)11-5-8(13)12-7-3-4-16-10(7)15/h7H,1,3-5H2,2H3,(H,11,14)(H,12,13)
InChIKeyJSIGNBYJZBDVLP-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.89
Rot. Bonds4

About 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide

2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide (PubChem CID 58186098) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
PubChem CID58186098
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCC(=O)NC1CCOC1=O
InChIInChI=1S/C10H14N2O4/c1-6(2)9(14)11-5-8(13)12-7-3-4-16-10(7)15/h7H,1,3-5H2,2H3,(H,11,14)(H,12,13)
InChIKeyJSIGNBYJZBDVLP-UHFFFAOYSA-N
XLogP-0.89
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (2S)-2-(2-methylprop-2-enoylamino)butanedioate
CID 11085567
2-methyl-N-(5-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 58186091
N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide
CID 58186102
2-methyl-N-(2-oxooxolan-3-yl)prop-2-enamide
CID 58186125
N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 58186140
N-(4,4-dimethyl-2-oxooxolan-3-yl)-2-methylprop-2-enamide
CID 58186313
2-methyl-N-(4-methyl-2-oxooxolan-3-yl)prop-2-enamide
CID 58186343
Diethyl 2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]butanedioate
CID 59381545
ethyl (2S)-2-(2-methylprop-2-enoylamino)propanoate
CID 87843277
Ethyl 2-(dimethylamino)-3-(2-methylprop-2-enoylamino)pentanoate
CID 90685129
ethyl (2S)-2-[[(2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 139603950
propan-2-yl (2S)-2-[[(2S)-2-[[(2S)-2-(2-methylprop-2-enoylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 139603951

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide (CID 58186098) is 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide is C=C(C)C(=O)NCC(=O)NC1CCOC1=O.
What is the InChIKey of 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
The InChIKey is JSIGNBYJZBDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(2)9(14)11-5-8(13)12-7-3-4-16-10(7)15/h7H,1,3-5H2,2H3,(H,11,14)(H,12,13).
What are the key properties of 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide?
2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide has a molecular weight of 226.23 g/mol, XLogP of -0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-oxo-2-[(2-oxooxolan-3-yl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 58186098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).