ethyl 3-cyano-3-(cyclopentylamino)propanoate

C11H18N2O2 — CID 66432359

IUPACethyl 3-cyano-3-(cyclopentylamino)propanoate
SMILESCCOC(=O)CC(C#N)NC1CCCC1
InChIInChI=1S/C11H18N2O2/c1-2-15-11(14)7-10(8-12)13-9-5-3-4-6-9/h9-10,13H,2-7H2,1H3
InChIKeySZAJDQSKBSVUPQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.36
Rot. Bonds5

About ethyl 3-cyano-3-(cyclopentylamino)propanoate

ethyl 3-cyano-3-(cyclopentylamino)propanoate (PubChem CID 66432359) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 3-cyano-3-(cyclopentylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-cyano-3-(cyclopentylamino)propanoate
PubChem CID66432359
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 3-cyano-3-(cyclopentylamino)propanoate
SMILESCCOC(=O)CC(C#N)NC1CCCC1
InChIInChI=1S/C11H18N2O2/c1-2-15-11(14)7-10(8-12)13-9-5-3-4-6-9/h9-10,13H,2-7H2,1H3
InChIKeySZAJDQSKBSVUPQ-UHFFFAOYSA-N
XLogP1.36
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-3-(cyclopentylamino)propanoate?
The IUPAC name of ethyl 3-cyano-3-(cyclopentylamino)propanoate (CID 66432359) is ethyl 3-cyano-3-(cyclopentylamino)propanoate.
What is the SMILES notation for ethyl 3-cyano-3-(cyclopentylamino)propanoate?
The canonical SMILES for ethyl 3-cyano-3-(cyclopentylamino)propanoate is CCOC(=O)CC(C#N)NC1CCCC1.
What is the InChIKey of ethyl 3-cyano-3-(cyclopentylamino)propanoate?
The InChIKey is SZAJDQSKBSVUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-15-11(14)7-10(8-12)13-9-5-3-4-6-9/h9-10,13H,2-7H2,1H3.
What are the key properties of ethyl 3-cyano-3-(cyclopentylamino)propanoate?
ethyl 3-cyano-3-(cyclopentylamino)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-3-(cyclopentylamino)propanoate is sourced from PubChem (CID 66432359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).