2-methylprop-2-enyl 3-(methylamino)propanoate

C8H15NO2 — CID 58325885

IUPAC2-methylprop-2-enyl 3-(methylamino)propanoate
SMILESC=C(C)COC(=O)CCNC
InChIInChI=1S/C8H15NO2/c1-7(2)6-11-8(10)4-5-9-3/h9H,1,4-6H2,2-3H3
InChIKeyVRSLPRGQEGGOCQ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds5

About 2-methylprop-2-enyl 3-(methylamino)propanoate

2-methylprop-2-enyl 3-(methylamino)propanoate (PubChem CID 58325885) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-methylprop-2-enyl 3-(methylamino)propanoate.

Molecular Properties

Compound Name2-methylprop-2-enyl 3-(methylamino)propanoate
PubChem CID58325885
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-methylprop-2-enyl 3-(methylamino)propanoate
SMILESC=C(C)COC(=O)CCNC
InChIInChI=1S/C8H15NO2/c1-7(2)6-11-8(10)4-5-9-3/h9H,1,4-6H2,2-3H3
InChIKeyVRSLPRGQEGGOCQ-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 2-methylprop-2-enyl 3-(methylamino)propanoate?
The IUPAC name of 2-methylprop-2-enyl 3-(methylamino)propanoate (CID 58325885) is 2-methylprop-2-enyl 3-(methylamino)propanoate.
What is the SMILES notation for 2-methylprop-2-enyl 3-(methylamino)propanoate?
The canonical SMILES for 2-methylprop-2-enyl 3-(methylamino)propanoate is C=C(C)COC(=O)CCNC.
What is the InChIKey of 2-methylprop-2-enyl 3-(methylamino)propanoate?
The InChIKey is VRSLPRGQEGGOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)6-11-8(10)4-5-9-3/h9H,1,4-6H2,2-3H3.
What are the key properties of 2-methylprop-2-enyl 3-(methylamino)propanoate?
2-methylprop-2-enyl 3-(methylamino)propanoate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 3-(methylamino)propanoate is sourced from PubChem (CID 58325885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).