3-(propanoylamino)propyl 2-methylprop-2-enoate

C10H17NO3 — CID 19090169

IUPAC3-(propanoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(=O)CC
InChIInChI=1S/C10H17NO3/c1-4-9(12)11-6-5-7-14-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,12)
InChIKeyPGVINVAOPVFPDR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds6

About 3-(propanoylamino)propyl 2-methylprop-2-enoate

3-(propanoylamino)propyl 2-methylprop-2-enoate (PubChem CID 19090169) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(propanoylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(propanoylamino)propyl 2-methylprop-2-enoate
PubChem CID19090169
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(propanoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(=O)CC
InChIInChI=1S/C10H17NO3/c1-4-9(12)11-6-5-7-14-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,12)
InChIKeyPGVINVAOPVFPDR-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(propanoylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(propanoylamino)propyl 2-methylprop-2-enoate (CID 19090169) is 3-(propanoylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(propanoylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(propanoylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNC(=O)CC.
What is the InChIKey of 3-(propanoylamino)propyl 2-methylprop-2-enoate?
The InChIKey is PGVINVAOPVFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-9(12)11-6-5-7-14-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,12).
What are the key properties of 3-(propanoylamino)propyl 2-methylprop-2-enoate?
3-(propanoylamino)propyl 2-methylprop-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 19090169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).