methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate

C10H15NO5 — CID 20751092

IUPACmethyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate
SMILESC=CC(=O)OCCC(=O)NCCC(=O)OC
InChIInChI=1S/C10H15NO5/c1-3-9(13)16-7-5-8(12)11-6-4-10(14)15-2/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyATDHARASLVDDML-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.22
Rot. Bonds7

About methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate

methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate (PubChem CID 20751092) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate
PubChem CID20751092
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate
SMILESC=CC(=O)OCCC(=O)NCCC(=O)OC
InChIInChI=1S/C10H15NO5/c1-3-9(13)16-7-5-8(12)11-6-4-10(14)15-2/h3H,1,4-7H2,2H3,(H,11,12)
InChIKeyATDHARASLVDDML-UHFFFAOYSA-N
XLogP-0.22
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(Methylamino)-3-oxopropyl 2-propenoate
CID 100973
beta-Alanine, N-acryloyl-, butyl ester
CID 91692696
N-allyl-malonamic acid ethyl ester
CID 24763927
3-Acetamidopropyl methacrylate
CID 15055173
Prop-2-enyl 3-acetamidopropanoate
CID 14711262
3-(Methoxycarbonylamino)propyl prop-2-enoate
CID 15208799
3-(Propanoylamino)propyl prop-2-enoate
CID 15857754
4-(Propanoylamino)butyl prop-2-enoate
CID 17789548
[3-(Butylamino)-3-oxopropyl] prop-2-enoate
CID 19040249
(1-Bromo-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate
CID 20643736
(1-Methoxy-2-methylpropan-2-yl) 3-(3-prop-2-enoyloxypropanoylamino)propanoate
CID 20643769
[3-[[2-(2-Methoxyethoxy)-2-oxoethyl]amino]-3-oxopropyl] prop-2-enoate
CID 20643844

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
The IUPAC name of methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate (CID 20751092) is methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate.
What is the SMILES notation for methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
The canonical SMILES for methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate is C=CC(=O)OCCC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
The InChIKey is ATDHARASLVDDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-3-9(13)16-7-5-8(12)11-6-4-10(14)15-2/h3H,1,4-7H2,2H3,(H,11,12).
What are the key properties of methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate?
methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate has a molecular weight of 229.23 g/mol, XLogP of -0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate is sourced from PubChem (CID 20751092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).