ethylamino (Z)-2-methylbut-2-enoate

C7H13NO2 — CID 87544523

IUPACethylamino (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)ONCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)7(9)10-8-5-2/h4,8H,5H2,1-3H3/b6-4-
InChIKeyMQLKRIWNRDNBNF-XQRVVYSFSA-N
MW143.19 g/mol
LogP1.02
Rot. Bonds3

About ethylamino (Z)-2-methylbut-2-enoate

ethylamino (Z)-2-methylbut-2-enoate (PubChem CID 87544523) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethylamino (Z)-2-methylbut-2-enoate.

Molecular Properties

Compound Nameethylamino (Z)-2-methylbut-2-enoate
PubChem CID87544523
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethylamino (Z)-2-methylbut-2-enoate
SMILESC/C=C(/C)C(=O)ONCC
InChIInChI=1S/C7H13NO2/c1-4-6(3)7(9)10-8-5-2/h4,8H,5H2,1-3H3/b6-4-
InChIKeyMQLKRIWNRDNBNF-XQRVVYSFSA-N
XLogP1.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethylamino (Z)-2-methylbut-2-enoate?
The IUPAC name of ethylamino (Z)-2-methylbut-2-enoate (CID 87544523) is ethylamino (Z)-2-methylbut-2-enoate.
What is the SMILES notation for ethylamino (Z)-2-methylbut-2-enoate?
The canonical SMILES for ethylamino (Z)-2-methylbut-2-enoate is C/C=C(/C)C(=O)ONCC.
What is the InChIKey of ethylamino (Z)-2-methylbut-2-enoate?
The InChIKey is MQLKRIWNRDNBNF-XQRVVYSFSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-6(3)7(9)10-8-5-2/h4,8H,5H2,1-3H3/b6-4-.
What are the key properties of ethylamino (Z)-2-methylbut-2-enoate?
ethylamino (Z)-2-methylbut-2-enoate has a molecular weight of 143.19 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino (Z)-2-methylbut-2-enoate is sourced from PubChem (CID 87544523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).