2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate

C9H18N2O2 — CID 174335600

IUPAC2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
SMILESCC(N)=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C9H18N2O2/c1-7(8(2)10)9(12)13-6-5-11(3)4/h5-6,10H2,1-4H3
InChIKeyYZLMQYJBKPCNRP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.34
Rot. Bonds4

About 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate

2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate (PubChem CID 174335600) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
PubChem CID174335600
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate
SMILESCC(N)=C(C)C(=O)OCCN(C)C
InChIInChI=1S/C9H18N2O2/c1-7(8(2)10)9(12)13-6-5-11(3)4/h5-6,10H2,1-4H3
InChIKeyYZLMQYJBKPCNRP-UHFFFAOYSA-N
XLogP0.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 89128247
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2-(dimethylamino)ethyl 2-methylpent-2-enoate
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2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethanamine;hydrobromide
CID 175228289
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CID 19967472
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CID 71372280
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
[3-[2-(dimethylamino)ethoxy]-3-oxopropyl] 2-methylprop-2-enoate
CID 20659289
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl acetate
CID 131725052
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(dimethylamino)ethyl 2-methylprop-2-enoate;ethyl hydrogen sulfate
CID 173011820

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate (CID 174335600) is 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate is CC(N)=C(C)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate?
The InChIKey is YZLMQYJBKPCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(8(2)10)9(12)13-6-5-11(3)4/h5-6,10H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate?
2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-amino-2-methylbut-2-enoate is sourced from PubChem (CID 174335600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).