ethyl (Z)-2-amino-4-methylpent-2-enoate

C8H15NO2 — CID 12541124

IUPACethyl (Z)-2-amino-4-methylpent-2-enoate
SMILESCCOC(=O)/C(N)=C/C(C)C
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h5-6H,4,9H2,1-3H3/b7-5-
InChIKeyJMYRGYFAVVQTFO-ALCCZGGFSA-N
MW157.21 g/mol
LogP1.05
Rot. Bonds3

About ethyl (Z)-2-amino-4-methylpent-2-enoate

ethyl (Z)-2-amino-4-methylpent-2-enoate (PubChem CID 12541124) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl (Z)-2-amino-4-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-amino-4-methylpent-2-enoate
PubChem CID12541124
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl (Z)-2-amino-4-methylpent-2-enoate
SMILESCCOC(=O)/C(N)=C/C(C)C
InChIInChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h5-6H,4,9H2,1-3H3/b7-5-
InChIKeyJMYRGYFAVVQTFO-ALCCZGGFSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.05
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

diethyl 2-(2,3-dimethylbutylidene)propanedioate
CID 90311904
CID 159370772
CID 159370772
ethyl (E)-2,4-dimethylhex-2-enoate
CID 12550546
ethyl 2-benzamido-4-methylpent-2-enoate
CID 174918416
ethyl (Z)-2-fluoro-4-methylhex-2-enoate
CID 24806138
azane;ethyl 4-amino-2-methylhex-2-enoate
CID 173072927
ethyl (E,4S)-2,4-dimethyl-5-oxopent-2-enoate
CID 53392007
ethyl (E,4R)-4-acetyloxy-2-methylpent-2-enoate
CID 10488247
ethyl 3-amino-2,4-dimethylpent-2-enoate
CID 175523894
ethyl (Z)-2-acetyl-4-methylhex-2-enoate
CID 25137440
ethyl (Z,4R)-2-fluoro-5-hydroxy-4-methylpent-2-enoate
CID 15709367
ethyl (E)-3-amino-2-methanethioylbut-2-enoate
CID 87587152

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-amino-4-methylpent-2-enoate?
The IUPAC name of ethyl (Z)-2-amino-4-methylpent-2-enoate (CID 12541124) is ethyl (Z)-2-amino-4-methylpent-2-enoate.
What is the SMILES notation for ethyl (Z)-2-amino-4-methylpent-2-enoate?
The canonical SMILES for ethyl (Z)-2-amino-4-methylpent-2-enoate is CCOC(=O)/C(N)=C/C(C)C.
What is the InChIKey of ethyl (Z)-2-amino-4-methylpent-2-enoate?
The InChIKey is JMYRGYFAVVQTFO-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-11-8(10)7(9)5-6(2)3/h5-6H,4,9H2,1-3H3/b7-5-.
What are the key properties of ethyl (Z)-2-amino-4-methylpent-2-enoate?
ethyl (Z)-2-amino-4-methylpent-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-amino-4-methylpent-2-enoate is sourced from PubChem (CID 12541124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).