2-aminoethyl 3-methyl-2-methylidenebutanoate

C8H15NO2 — CID 19096420

IUPAC2-aminoethyl 3-methyl-2-methylidenebutanoate
SMILESC=C(C(=O)OCCN)C(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)7(3)8(10)11-5-4-9/h6H,3-5,9H2,1-2H3
InChIKeyLZFOEVFEHMGUPH-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.70
Rot. Bonds4

About 2-aminoethyl 3-methyl-2-methylidenebutanoate

2-aminoethyl 3-methyl-2-methylidenebutanoate (PubChem CID 19096420) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-aminoethyl 3-methyl-2-methylidenebutanoate.

Molecular Properties

Compound Name2-aminoethyl 3-methyl-2-methylidenebutanoate
PubChem CID19096420
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-aminoethyl 3-methyl-2-methylidenebutanoate
SMILESC=C(C(=O)OCCN)C(C)C
InChIInChI=1S/C8H15NO2/c1-6(2)7(3)8(10)11-5-4-9/h6H,3-5,9H2,1-2H3
InChIKeyLZFOEVFEHMGUPH-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 3-methyl-2-methylidenebutanoate?
The IUPAC name of 2-aminoethyl 3-methyl-2-methylidenebutanoate (CID 19096420) is 2-aminoethyl 3-methyl-2-methylidenebutanoate.
What is the SMILES notation for 2-aminoethyl 3-methyl-2-methylidenebutanoate?
The canonical SMILES for 2-aminoethyl 3-methyl-2-methylidenebutanoate is C=C(C(=O)OCCN)C(C)C.
What is the InChIKey of 2-aminoethyl 3-methyl-2-methylidenebutanoate?
The InChIKey is LZFOEVFEHMGUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)7(3)8(10)11-5-4-9/h6H,3-5,9H2,1-2H3.
What are the key properties of 2-aminoethyl 3-methyl-2-methylidenebutanoate?
2-aminoethyl 3-methyl-2-methylidenebutanoate has a molecular weight of 157.21 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 3-methyl-2-methylidenebutanoate is sourced from PubChem (CID 19096420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).