ethyl 3-(cyclopentanecarbonylamino)propanoate

C11H19NO3 — CID 58089891

IUPACethyl 3-(cyclopentanecarbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)7-8-12-11(14)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyIJFNYNFQPMWPLB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.25
Rot. Bonds5

About ethyl 3-(cyclopentanecarbonylamino)propanoate

ethyl 3-(cyclopentanecarbonylamino)propanoate (PubChem CID 58089891) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 3-(cyclopentanecarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(cyclopentanecarbonylamino)propanoate
PubChem CID58089891
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 3-(cyclopentanecarbonylamino)propanoate
SMILESCCOC(=O)CCNC(=O)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-2-15-10(13)7-8-12-11(14)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14)
InChIKeyIJFNYNFQPMWPLB-UHFFFAOYSA-N
XLogP1.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopentanecarbonylamino)propanoate?
The IUPAC name of ethyl 3-(cyclopentanecarbonylamino)propanoate (CID 58089891) is ethyl 3-(cyclopentanecarbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(cyclopentanecarbonylamino)propanoate?
The canonical SMILES for ethyl 3-(cyclopentanecarbonylamino)propanoate is CCOC(=O)CCNC(=O)C1CCCC1.
What is the InChIKey of ethyl 3-(cyclopentanecarbonylamino)propanoate?
The InChIKey is IJFNYNFQPMWPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-15-10(13)7-8-12-11(14)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,12,14).
What are the key properties of ethyl 3-(cyclopentanecarbonylamino)propanoate?
ethyl 3-(cyclopentanecarbonylamino)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopentanecarbonylamino)propanoate is sourced from PubChem (CID 58089891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).