methyl 4-amino-2-ethylidenepentanoate

C8H15NO2 — CID 174726173

IUPACmethyl 4-amino-2-ethylidenepentanoate
SMILESCC=C(CC(C)N)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-7(5-6(2)9)8(10)11-3/h4,6H,5,9H2,1-3H3
InChIKeyVTZDIVQENSPRHF-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds3

About methyl 4-amino-2-ethylidenepentanoate

methyl 4-amino-2-ethylidenepentanoate (PubChem CID 174726173) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 4-amino-2-ethylidenepentanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-ethylidenepentanoate
PubChem CID174726173
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 4-amino-2-ethylidenepentanoate
SMILESCC=C(CC(C)N)C(=O)OC
InChIInChI=1S/C8H15NO2/c1-4-7(5-6(2)9)8(10)11-3/h4,6H,5,9H2,1-3H3
InChIKeyVTZDIVQENSPRHF-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
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

dimethyl (2Z,4R)-2-ethylidene-4-(3-methylbutyl)pentanedioate
CID 129383009
methyl (E)-2-(hydroxymethyl)but-2-enoate
CID 14564319
dimethyl (2Z,4R)-2-ethylidene-4-pentylpentanedioate
CID 129364260
dimethyl (2Z,4S)-2-ethylidene-4-pentylpentanedioate
CID 129364259
methyl 2-(2-aminoethyl)but-2-enoate
CID 57312138
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
1-O-ethyl 5-O-methyl (2E)-2-ethylidene-4-propylpentanedioate
CID 11139298
[(E)-2-methoxycarbonylbut-2-enyl] (E)-2-ethylbut-2-enoate
CID 59775571
methyl 3-amino-2-ethylidenehexanoate
CID 173027771
azane;methyl 2-ethylidenepentanoate
CID 175242663
methyl 4-(2-aminopropylsulfanyl)-2-ethylbut-2-enoate
CID 77114948
methyl 2-(2-aminopropylamino)-2-oxoacetate
CID 117126349

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-ethylidenepentanoate?
The IUPAC name of methyl 4-amino-2-ethylidenepentanoate (CID 174726173) is methyl 4-amino-2-ethylidenepentanoate.
What is the SMILES notation for methyl 4-amino-2-ethylidenepentanoate?
The canonical SMILES for methyl 4-amino-2-ethylidenepentanoate is CC=C(CC(C)N)C(=O)OC.
What is the InChIKey of methyl 4-amino-2-ethylidenepentanoate?
The InChIKey is VTZDIVQENSPRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-7(5-6(2)9)8(10)11-3/h4,6H,5,9H2,1-3H3.
What are the key properties of methyl 4-amino-2-ethylidenepentanoate?
methyl 4-amino-2-ethylidenepentanoate has a molecular weight of 157.21 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-ethylidenepentanoate is sourced from PubChem (CID 174726173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).