2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate

C12H19NO4 — CID 87759268

IUPAC2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)N(C)C(=O)C(C)=O
InChIInChI=1S/C12H19NO4/c1-6-10(7-17-12(16)8(2)3)13(5)11(15)9(4)14/h10H,2,6-7H2,1,3-5H3
InChIKeyGJZMWYWRACVHDK-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds6

About 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate

2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate (PubChem CID 87759268) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate
PubChem CID87759268
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CC)N(C)C(=O)C(C)=O
InChIInChI=1S/C12H19NO4/c1-6-10(7-17-12(16)8(2)3)13(5)11(15)9(4)14/h10H,2,6-7H2,1,3-5H3
InChIKeyGJZMWYWRACVHDK-UHFFFAOYSA-N
XLogP0.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triethyl(2-methylprop-2-enoyloxymethyl)phosphanium
CID 18683050
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
2,3-bis(difluoroamino)propyl 2-methylprop-2-enoate
CID 54123031
[2-(diethylamino)-2-hydroxyethyl] 2-methylprop-2-enoate
CID 57254396
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
CID 141058700
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
2,3-bis(sulfanyl)propyl 2-methylprop-2-enoate
CID 54337333
2-dimethylsilyloxybutyl 2-methylprop-2-enoate
CID 123902003
[2-(dimethylamino)-3-fluorobut-3-enyl] 2-methylprop-2-enoate
CID 175067527
2-isocyanobutyl 2-methylprop-2-enoate
CID 141496484
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate?
The IUPAC name of 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate (CID 87759268) is 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CC)N(C)C(=O)C(C)=O.
What is the InChIKey of 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate?
The InChIKey is GJZMWYWRACVHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-6-10(7-17-12(16)8(2)3)13(5)11(15)9(4)14/h10H,2,6-7H2,1,3-5H3.
What are the key properties of 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate?
2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate has a molecular weight of 241.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-oxopropanoyl)amino]butyl 2-methylprop-2-enoate is sourced from PubChem (CID 87759268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).