(2-acetamido-2-methylpropyl) 2-methylprop-2-enoate

C10H17NO3 — CID 18544200

IUPAC(2-acetamido-2-methylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NC(C)=O
InChIInChI=1S/C10H17NO3/c1-7(2)9(13)14-6-10(4,5)11-8(3)12/h1,6H2,2-5H3,(H,11,12)
InChIKeyOVCKEPZWJXMHIA-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds4

About (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate

(2-acetamido-2-methylpropyl) 2-methylprop-2-enoate (PubChem CID 18544200) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-acetamido-2-methylpropyl) 2-methylprop-2-enoate
PubChem CID18544200
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2-acetamido-2-methylpropyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)NC(C)=O
InChIInChI=1S/C10H17NO3/c1-7(2)9(13)14-6-10(4,5)11-8(3)12/h1,6H2,2-5H3,(H,11,12)
InChIKeyOVCKEPZWJXMHIA-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tert-Butylamino)ethyl methacrylate
CID 19601
2-(Tert-butylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 17873151
2-Propenoic acid, 2-methyl-, 2-((1,1-dimethylethyl)amino)ethyl ester, hydrochloride (1:1)
CID 90020
N-tert-Butylprop-2-enimidic acid--ethyl 2-methylprop-2-enoate (1/1)
CID 6455531
Dimethyl-aminoethyl methacrylate hydrochloride
CID 88215441
N-tert-butylprop-2-enamide;methyl 2-methylprop-2-enoate
CID 88285334
2-Methacrylamidopropyl methacrylate
CID 90776151
2-Acetamidoethyl 2-methylprop-2-enoate
CID 234741
(2-Acetoacetamido-2-methylpropyl)methacrylate
CID 10944574
Tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18325506
Ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
CID 19391810
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate?
The IUPAC name of (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate (CID 18544200) is (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)NC(C)=O.
What is the InChIKey of (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate?
The InChIKey is OVCKEPZWJXMHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)9(13)14-6-10(4,5)11-8(3)12/h1,6H2,2-5H3,(H,11,12).
What are the key properties of (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate?
(2-acetamido-2-methylpropyl) 2-methylprop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-2-methylpropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 18544200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).