prop-2-enyl 3-acetamidopropanoate

C8H13NO3 — CID 14711262

IUPACprop-2-enyl 3-acetamidopropanoate
SMILESC=CCOC(=O)CCNC(C)=O
InChIInChI=1S/C8H13NO3/c1-3-6-12-8(11)4-5-9-7(2)10/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyLQZBKZBFPUWKFY-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.24
Rot. Bonds5

About prop-2-enyl 3-acetamidopropanoate

prop-2-enyl 3-acetamidopropanoate (PubChem CID 14711262) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is prop-2-enyl 3-acetamidopropanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-acetamidopropanoate
PubChem CID14711262
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameprop-2-enyl 3-acetamidopropanoate
SMILESC=CCOC(=O)CCNC(C)=O
InChIInChI=1S/C8H13NO3/c1-3-6-12-8(11)4-5-9-7(2)10/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyLQZBKZBFPUWKFY-UHFFFAOYSA-N
XLogP0.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-malonamic acid ethyl ester
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beta-Alanine, N-allyloxycarbonyl-, allyl ester
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Ethyl 3-(allylamino)propanoate
CID 12455818
3-(Propanoylamino)propyl prop-2-enoate
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[3-(Butylamino)-3-oxopropyl] prop-2-enoate
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3-(Propanoylamino)propyl 2-methylprop-2-enoate
CID 19090169
Propan-2-yl 3-(3-prop-2-enoyloxypropanoylamino)propanoate
CID 20751091
Methyl 3-(3-prop-2-enoyloxypropanoylamino)propanoate
CID 20751092
Ethyl N-but-3-enoyl-beta-alaninate
CID 23299483
4-(Propanoylamino)butan-2-yl prop-2-enoate
CID 53779127

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-acetamidopropanoate?
The IUPAC name of prop-2-enyl 3-acetamidopropanoate (CID 14711262) is prop-2-enyl 3-acetamidopropanoate.
What is the SMILES notation for prop-2-enyl 3-acetamidopropanoate?
The canonical SMILES for prop-2-enyl 3-acetamidopropanoate is C=CCOC(=O)CCNC(C)=O.
What is the InChIKey of prop-2-enyl 3-acetamidopropanoate?
The InChIKey is LQZBKZBFPUWKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6-12-8(11)4-5-9-7(2)10/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of prop-2-enyl 3-acetamidopropanoate?
prop-2-enyl 3-acetamidopropanoate has a molecular weight of 171.20 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-acetamidopropanoate is sourced from PubChem (CID 14711262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).