ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate

C12H21NO2 — CID 62389815

IUPACethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCC1
InChIInChI=1S/C12H21NO2/c1-2-15-11(14)12(8-5-9-12)13-10-6-3-4-7-10/h10,13H,2-9H2,1H3
InChIKeyNIYDPNLXTFWHJR-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.00
Rot. Bonds4

About ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate

ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate (PubChem CID 62389815) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
PubChem CID62389815
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC2CCCC2)CCC1
InChIInChI=1S/C12H21NO2/c1-2-15-11(14)12(8-5-9-12)13-10-6-3-4-7-10/h10,13H,2-9H2,1H3
InChIKeyNIYDPNLXTFWHJR-UHFFFAOYSA-N
XLogP2.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 4-(cyclohexylamino)-1-ethylazepane-4-carboxylate
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ethyl 3-(cyclopentylmethylsulfanyl)-1-(cyclopropylamino)cyclopentane-1-carboxylate
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methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
ethyl 1-(cyclopropylamino)-3-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate (CID 62389815) is ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate is CCOC(=O)C1(NC2CCCC2)CCC1.
What is the InChIKey of ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate?
The InChIKey is NIYDPNLXTFWHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-11(14)12(8-5-9-12)13-10-6-3-4-7-10/h10,13H,2-9H2,1H3.
What are the key properties of ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate?
ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopentylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).