ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C16H28N2O3 — CID 62028753

IUPACethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)NC1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)14-10-7-11-18(14)12-15(19)17-13-8-5-3-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyOIMNGPIRNVKITD-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.85
Rot. Bonds5

About ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 62028753) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID62028753
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nameethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CC(=O)NC1CCCCCC1
InChIInChI=1S/C16H28N2O3/c1-2-21-16(20)14-10-7-11-18(14)12-15(19)17-13-8-5-3-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,19)
InChIKeyOIMNGPIRNVKITD-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
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[2-(cyclopentylamino)-2-oxoethyl] 1-ethylpiperidine-2-carboxylate
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ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
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ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
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ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
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CID 94822878
methyl 1-[2-(ethoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62027860
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-(2-ethoxyethyl)pyrrolidine-2-carboxylate
CID 62028361
2-[2-(aminomethyl)-3-ethylpiperidin-1-yl]-N-cycloheptylacetamide
CID 82731953
ethyl 1-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrrolidine-2-carboxylate
CID 62028758
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119926969

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 62028753) is ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CC(=O)NC1CCCCCC1.
What is the InChIKey of ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is OIMNGPIRNVKITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-21-16(20)14-10-7-11-18(14)12-15(19)17-13-8-5-3-4-6-9-13/h13-14H,2-12H2,1H3,(H,17,19).
What are the key properties of ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).