ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate

C15H26N2O3 — CID 60945314

IUPACethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-20-13(18)11-5-7-12(8-6-11)17-14(19)15(16)9-3-4-10-15/h11-12H,2-10,16H2,1H3,(H,17,19)
InChIKeyRLTLNDJJJQDUND-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.50
Rot. Bonds4

About ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate

ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 60945314) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate
PubChem CID60945314
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-20-13(18)11-5-7-12(8-6-11)17-14(19)15(16)9-3-4-10-15/h11-12H,2-10,16H2,1H3,(H,17,19)
InChIKeyRLTLNDJJJQDUND-UHFFFAOYSA-N
XLogP1.50
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate (CID 60945314) is ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)C2(N)CCCC2)CC1.
What is the InChIKey of ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is RLTLNDJJJQDUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-13(18)11-5-7-12(8-6-11)17-14(19)15(16)9-3-4-10-15/h11-12H,2-10,16H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate?
ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 60945314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).