ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate

C14H23NO3 — CID 79796106

IUPACethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C1C2CCCC21
InChIInChI=1S/C14H23NO3/c1-3-8-15(9-12(16)18-4-2)14(17)13-10-6-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyWDMJCSGMLMXCLQ-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate

ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate (PubChem CID 79796106) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
PubChem CID79796106
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Nameethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)C1C2CCCC21
InChIInChI=1S/C14H23NO3/c1-3-8-15(9-12(16)18-4-2)14(17)13-10-6-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3
InChIKeyWDMJCSGMLMXCLQ-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(methyl)amino]acetate
CID 79601174
ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
CID 79005878
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
ethyl 3-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]propanoate
CID 79209644
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
CID 79162765
(1S,6R)-6-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962318
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
CID 87031091
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978387
ethyl 2-[3-(cyclopentanecarbonylamino)butanoyl-propylamino]acetate
CID 71879865
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate (CID 79796106) is ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate is CCCN(CC(=O)OCC)C(=O)C1C2CCCC21.
What is the InChIKey of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
The InChIKey is WDMJCSGMLMXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-8-15(9-12(16)18-4-2)14(17)13-10-6-5-7-11(10)13/h10-11,13H,3-9H2,1-2H3.
What are the key properties of ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate?
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate has a molecular weight of 253.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate is sourced from PubChem (CID 79796106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).