ethyl 3-(propanoylamino)propanoate

C8H15NO3 — CID 44769637

IUPACethyl 3-(propanoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)CC
InChIInChI=1S/C8H15NO3/c1-3-7(10)9-6-5-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyFXMSPRDCQDFDDC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.47
Rot. Bonds5

About ethyl 3-(propanoylamino)propanoate

ethyl 3-(propanoylamino)propanoate (PubChem CID 44769637) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl 3-(propanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(propanoylamino)propanoate
PubChem CID44769637
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl 3-(propanoylamino)propanoate
SMILESCCOC(=O)CCNC(=O)CC
InChIInChI=1S/C8H15NO3/c1-3-7(10)9-6-5-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10)
InChIKeyFXMSPRDCQDFDDC-UHFFFAOYSA-N
XLogP0.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(propanoylamino)propanoate?
The IUPAC name of ethyl 3-(propanoylamino)propanoate (CID 44769637) is ethyl 3-(propanoylamino)propanoate.
What is the SMILES notation for ethyl 3-(propanoylamino)propanoate?
The canonical SMILES for ethyl 3-(propanoylamino)propanoate is CCOC(=O)CCNC(=O)CC.
What is the InChIKey of ethyl 3-(propanoylamino)propanoate?
The InChIKey is FXMSPRDCQDFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-7(10)9-6-5-8(11)12-4-2/h3-6H2,1-2H3,(H,9,10).
What are the key properties of ethyl 3-(propanoylamino)propanoate?
ethyl 3-(propanoylamino)propanoate has a molecular weight of 173.21 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(propanoylamino)propanoate is sourced from PubChem (CID 44769637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).