ethyl 5-amino-4-methylpent-4-enoate

C8H15NO2 — CID 174433191

IUPACethyl 5-amino-4-methylpent-4-enoate
SMILESCCOC(=O)CCC(C)=CN
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)5-4-7(2)6-9/h6H,3-5,9H2,1-2H3
InChIKeyWOJHKIYIRWIUCK-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.19
Rot. Bonds4

About ethyl 5-amino-4-methylpent-4-enoate

ethyl 5-amino-4-methylpent-4-enoate (PubChem CID 174433191) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 5-amino-4-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl 5-amino-4-methylpent-4-enoate
PubChem CID174433191
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 5-amino-4-methylpent-4-enoate
SMILESCCOC(=O)CCC(C)=CN
InChIInChI=1S/C8H15NO2/c1-3-11-8(10)5-4-7(2)6-9/h6H,3-5,9H2,1-2H3
InChIKeyWOJHKIYIRWIUCK-UHFFFAOYSA-N
XLogP1.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-methylpent-4-enoate?
The IUPAC name of ethyl 5-amino-4-methylpent-4-enoate (CID 174433191) is ethyl 5-amino-4-methylpent-4-enoate.
What is the SMILES notation for ethyl 5-amino-4-methylpent-4-enoate?
The canonical SMILES for ethyl 5-amino-4-methylpent-4-enoate is CCOC(=O)CCC(C)=CN.
What is the InChIKey of ethyl 5-amino-4-methylpent-4-enoate?
The InChIKey is WOJHKIYIRWIUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-8(10)5-4-7(2)6-9/h6H,3-5,9H2,1-2H3.
What are the key properties of ethyl 5-amino-4-methylpent-4-enoate?
ethyl 5-amino-4-methylpent-4-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-methylpent-4-enoate is sourced from PubChem (CID 174433191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).