ethyl 2-(ethylamino)-2-methylbut-3-enoate

C9H17NO2 — CID 123159457

IUPACethyl 2-(ethylamino)-2-methylbut-3-enoate
SMILESC=CC(C)(NCC)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-5-9(4,10-6-2)8(11)12-7-3/h5,10H,1,6-7H2,2-4H3
InChIKeyAULVUYCUIGWEIU-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds5

About ethyl 2-(ethylamino)-2-methylbut-3-enoate

ethyl 2-(ethylamino)-2-methylbut-3-enoate (PubChem CID 123159457) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-methylbut-3-enoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-methylbut-3-enoate
PubChem CID123159457
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-(ethylamino)-2-methylbut-3-enoate
SMILESC=CC(C)(NCC)C(=O)OCC
InChIInChI=1S/C9H17NO2/c1-5-9(4,10-6-2)8(11)12-7-3/h5,10H,1,6-7H2,2-4H3
InChIKeyAULVUYCUIGWEIU-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-chloro-2-hydroxybut-3-enoate
CID 139833562
1-O-ethyl 4-O-prop-2-enyl 2,2,3,3-tetramethylbutanedioate
CID 59122625
ethyl 2-ethenoxy-3-methoxy-2-methylbut-3-enoate
CID 10798090
ethyl (2S)-2-acetyl-2-methylpent-4-enoate
CID 10943138
ethyl 2-acetyl-2-methylpent-4-enoate
CID 10910217
ethyl 2-ethenyl-2,5,5-trimethylhexanoate
CID 102638995
ethyl 2-hydroxy-2-prop-2-enoyloxypropanoate
CID 90238503
ethyl 2-acetyl-3-methoxy-2-methylpent-4-enoate
CID 24977962
ethyl 2-cyclopropyl-2-(ethylamino)propanoate
CID 60788384
ethyl 2-(2-fluoroethyl)-2-methylbut-3-enoate
CID 102639291
ethyl 2-fluoro-2-phosphanylbut-3-enoate
CID 126490595
ethyl 2-amino-2-methylpent-4-enoate
CID 10103394

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-methylbut-3-enoate?
The IUPAC name of ethyl 2-(ethylamino)-2-methylbut-3-enoate (CID 123159457) is ethyl 2-(ethylamino)-2-methylbut-3-enoate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-methylbut-3-enoate?
The canonical SMILES for ethyl 2-(ethylamino)-2-methylbut-3-enoate is C=CC(C)(NCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-2-methylbut-3-enoate?
The InChIKey is AULVUYCUIGWEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-9(4,10-6-2)8(11)12-7-3/h5,10H,1,6-7H2,2-4H3.
What are the key properties of ethyl 2-(ethylamino)-2-methylbut-3-enoate?
ethyl 2-(ethylamino)-2-methylbut-3-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-methylbut-3-enoate is sourced from PubChem (CID 123159457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).