2-aminoethyl 2-methylprop-2-enoate;hydron;chloride

C6H12ClNO2 — CID 74764943

IUPAC2-aminoethyl 2-methylprop-2-enoate;hydron;chloride
SMILESC=C(C)C(=O)OCCN.[Cl-].[H+]
InChIInChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
InChIKeyXSHISXQEKIKSGC-UHFFFAOYSA-N
MW165.62 g/mol
LogP-2.82
Rot. Bonds3

About 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride

2-aminoethyl 2-methylprop-2-enoate;hydron;chloride (PubChem CID 74764943) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride.

Molecular Properties

Compound Name2-aminoethyl 2-methylprop-2-enoate;hydron;chloride
PubChem CID74764943
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-aminoethyl 2-methylprop-2-enoate;hydron;chloride
SMILESC=C(C)C(=O)OCCN.[Cl-].[H+]
InChIInChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H
InChIKeyXSHISXQEKIKSGC-UHFFFAOYSA-N
XLogP-2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 5-2.82
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

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2-Propenoic acid, 2-methyl-, 2-(methylamino)ethyl ester
CID 10154110
Glycyl methacrylate
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2-(Ethylamino)ethyl 2-methylprop-2-enoate
CID 18325612
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CID 19737022
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CID 21801587
2-Propenoic acid, 2-methyl-, 3-aminopropyl ester
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4-Amino-butyl methacrylate
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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride?
The IUPAC name of 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride (CID 74764943) is 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride.
What is the SMILES notation for 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride?
The canonical SMILES for 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride is C=C(C)C(=O)OCCN.[Cl-].[H+].
What is the InChIKey of 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride?
The InChIKey is XSHISXQEKIKSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-5(2)6(8)9-4-3-7;/h1,3-4,7H2,2H3;1H.
What are the key properties of 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride?
2-aminoethyl 2-methylprop-2-enoate;hydron;chloride has a molecular weight of 165.62 g/mol, XLogP of -2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 2-methylprop-2-enoate;hydron;chloride is sourced from PubChem (CID 74764943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).