methyl 3-[bis(prop-2-enyl)amino]propanoate

C10H17NO2 — CID 11423962

IUPACmethyl 3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CCC(=O)OC
InChIInChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-6-10(12)13-3/h4-5H,1-2,6-9H2,3H3
InChIKeyLBPYZNDLZVNKMD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds7

About methyl 3-[bis(prop-2-enyl)amino]propanoate

methyl 3-[bis(prop-2-enyl)amino]propanoate (PubChem CID 11423962) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 3-[bis(prop-2-enyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[bis(prop-2-enyl)amino]propanoate
PubChem CID11423962
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 3-[bis(prop-2-enyl)amino]propanoate
SMILESC=CCN(CC=C)CCC(=O)OC
InChIInChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-6-10(12)13-3/h4-5H,1-2,6-9H2,3H3
InChIKeyLBPYZNDLZVNKMD-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
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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Related Compounds

CID 19426639
CID 19426639
CID 12794321
CID 12794321
CID 60649442
CID 60649442
CID 134927058
CID 134927058
CID 135016024
CID 135016024
CID 165461961
CID 165461961
CID 102165683
CID 102165683
CID 15906292
CID 15906292
CID 18790939
CID 18790939
CID 20700639
CID 20700639
CID 21284598
CID 21284598
CID 29983303
CID 29983303

Frequently Asked Questions

What is the IUPAC name of methyl 3-[bis(prop-2-enyl)amino]propanoate?
The IUPAC name of methyl 3-[bis(prop-2-enyl)amino]propanoate (CID 11423962) is methyl 3-[bis(prop-2-enyl)amino]propanoate.
What is the SMILES notation for methyl 3-[bis(prop-2-enyl)amino]propanoate?
The canonical SMILES for methyl 3-[bis(prop-2-enyl)amino]propanoate is C=CCN(CC=C)CCC(=O)OC.
What is the InChIKey of methyl 3-[bis(prop-2-enyl)amino]propanoate?
The InChIKey is LBPYZNDLZVNKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-6-10(12)13-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of methyl 3-[bis(prop-2-enyl)amino]propanoate?
methyl 3-[bis(prop-2-enyl)amino]propanoate has a molecular weight of 183.25 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[bis(prop-2-enyl)amino]propanoate is sourced from PubChem (CID 11423962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).