prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate

C11H19NO3 — CID 15446108

IUPACprop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate
SMILESC=CCOC(=O)C(C(C)C)N(C)C(C)=O
InChIInChI=1S/C11H19NO3/c1-6-7-15-11(14)10(8(2)3)12(5)9(4)13/h6,8,10H,1,7H2,2-5H3
InChIKeyJGERVVNWWRTLLR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.22
Rot. Bonds5

About prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate

prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate (PubChem CID 15446108) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate
PubChem CID15446108
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameprop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate
SMILESC=CCOC(=O)C(C(C)C)N(C)C(C)=O
InChIInChI=1S/C11H19NO3/c1-6-7-15-11(14)10(8(2)3)12(5)9(4)13/h6,8,10H,1,7H2,2-5H3
InChIKeyJGERVVNWWRTLLR-UHFFFAOYSA-N
XLogP1.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate?
The IUPAC name of prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate (CID 15446108) is prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate.
What is the SMILES notation for prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate?
The canonical SMILES for prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate is C=CCOC(=O)C(C(C)C)N(C)C(C)=O.
What is the InChIKey of prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate?
The InChIKey is JGERVVNWWRTLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6-7-15-11(14)10(8(2)3)12(5)9(4)13/h6,8,10H,1,7H2,2-5H3.
What are the key properties of prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate?
prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate has a molecular weight of 213.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-[acetyl(methyl)amino]-3-methylbutanoate is sourced from PubChem (CID 15446108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).