3-amino-2-ethylbut-2-enoate

C6H10NO2- — CID 71436958

IUPAC3-amino-2-ethylbut-2-enoate
SMILESCCC(C(=O)[O-])=C(C)N
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)/p-1
InChIKeyUYPQCGHDGAGZHI-UHFFFAOYSA-M
MW128.15 g/mol
LogP-0.62
Rot. Bonds2

About 3-amino-2-ethylbut-2-enoate

3-amino-2-ethylbut-2-enoate (PubChem CID 71436958) has the molecular formula C6H10NO2- and a molecular weight of 128.15 g/mol. Its IUPAC name is 3-amino-2-ethylbut-2-enoate.

Molecular Properties

Compound Name3-amino-2-ethylbut-2-enoate
PubChem CID71436958
Molecular FormulaC6H10NO2-
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name3-amino-2-ethylbut-2-enoate
SMILESCCC(C(=O)[O-])=C(C)N
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)/p-1
InChIKeyUYPQCGHDGAGZHI-UHFFFAOYSA-M
XLogP-0.62
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 5-0.62
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-ethyl-3-methylbut-2-enamide
CID 55290055
antimony(3+);propanoate;diacetate
CID 23464193
bis(cobalt(2+));propanoate;diacetate
CID 173406713
potassium;hydrogen sulfite;propanamide
CID 174649785
disodium;(E)-2-ethyl-3-methoxybut-2-enedioate
CID 59706549
(Z)-3,4,4,4-tetrachloro-2-ethylbut-2-enoate
CID 23372420
(Z)-3-ethyl-4-methyliminopent-2-en-2-amine
CID 143420792
4-ethyl-5-methylhex-4-en-3-one
CID 130026658
phosphanylphosphanium acetate
CID 162334335
copper(1+);propanoate
CID 22149607
propanoate;uranium(4+)
CID 51035197
propanoate;hydrate
CID 19032208

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethylbut-2-enoate?
The IUPAC name of 3-amino-2-ethylbut-2-enoate (CID 71436958) is 3-amino-2-ethylbut-2-enoate.
What is the SMILES notation for 3-amino-2-ethylbut-2-enoate?
The canonical SMILES for 3-amino-2-ethylbut-2-enoate is CCC(C(=O)[O-])=C(C)N.
What is the InChIKey of 3-amino-2-ethylbut-2-enoate?
The InChIKey is UYPQCGHDGAGZHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)/p-1.
What are the key properties of 3-amino-2-ethylbut-2-enoate?
3-amino-2-ethylbut-2-enoate has a molecular weight of 128.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethylbut-2-enoate is sourced from PubChem (CID 71436958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).