2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide

C10H16N2O3 — CID 174484059

IUPAC2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide
SMILESC=C(C)C(=O)NCCC(C(C)=O)C(N)=O
InChIInChI=1S/C10H16N2O3/c1-6(2)10(15)12-5-4-8(7(3)13)9(11)14/h8H,1,4-5H2,2-3H3,(H2,11,14)(H,12,15)
InChIKeyBWPOEXMANKRANZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.24
Rot. Bonds6

About 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide

2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide (PubChem CID 174484059) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide.

Molecular Properties

Compound Name2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide
PubChem CID174484059
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide
SMILESC=C(C)C(=O)NCCC(C(C)=O)C(N)=O
InChIInChI=1S/C10H16N2O3/c1-6(2)10(15)12-5-4-8(7(3)13)9(11)14/h8H,1,4-5H2,2-3H3,(H2,11,14)(H,12,15)
InChIKeyBWPOEXMANKRANZ-UHFFFAOYSA-N
XLogP-0.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
2-methyl-N-[3-[3-[3-(3-methylbuta-1,3-dien-2-ylamino)propylamino]buta-1,3-dien-2-ylamino]propyl]prop-2-enamide
CID 166886440
N-(3-aminopropyl)-2-methylprop-2-enamide
CID 158225145
N-but-3-enyl-2-methylprop-2-enamide;urea
CID 87079419
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
ethane;2-methyl-N-[2-(methylamino)ethyl]prop-2-enamide
CID 145071357
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
N-(2-buta-1,3-dien-2-yloxyethyl)-2-methylprop-2-enamide
CID 23525810
1-O-ethyl 2-O-[2-(2-methylprop-2-enoylamino)ethyl] oxalate
CID 118147420
N-(8-aminooctyl)-2-methylprop-2-enamide
CID 86094836

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide?
The IUPAC name of 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide (CID 174484059) is 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide.
What is the SMILES notation for 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide?
The canonical SMILES for 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide is C=C(C)C(=O)NCCC(C(C)=O)C(N)=O.
What is the InChIKey of 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide?
The InChIKey is BWPOEXMANKRANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-6(2)10(15)12-5-4-8(7(3)13)9(11)14/h8H,1,4-5H2,2-3H3,(H2,11,14)(H,12,15).
What are the key properties of 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide?
2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide has a molecular weight of 212.25 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylprop-2-enoylamino)ethyl]-3-oxobutanamide is sourced from PubChem (CID 174484059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).