ethyl 2-cycloheptyl-2-formamidoacetate

C12H21NO3 — CID 163197902

IUPACethyl 2-cycloheptyl-2-formamidoacetate
SMILESCCOC(=O)C(NC=O)C1CCCCCC1
InChIInChI=1S/C12H21NO3/c1-2-16-12(15)11(13-9-14)10-7-5-3-4-6-8-10/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyUAVLWPPOMXFQLH-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.63
Rot. Bonds5

About ethyl 2-cycloheptyl-2-formamidoacetate

ethyl 2-cycloheptyl-2-formamidoacetate (PubChem CID 163197902) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-cycloheptyl-2-formamidoacetate.

Molecular Properties

Compound Nameethyl 2-cycloheptyl-2-formamidoacetate
PubChem CID163197902
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-cycloheptyl-2-formamidoacetate
SMILESCCOC(=O)C(NC=O)C1CCCCCC1
InChIInChI=1S/C12H21NO3/c1-2-16-12(15)11(13-9-14)10-7-5-3-4-6-8-10/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeyUAVLWPPOMXFQLH-UHFFFAOYSA-N
XLogP1.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-formamido-2-(oxan-4-yl)acetate
CID 86612132
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CID 61310564
diethyl 2-cyclohexyl-3-cyclopentylbutanedioate
CID 22241844
ethyl 2-(2-cyclopropyl-6-methyloxan-4-yl)-2-formamidoacetate
CID 123412216
ethyl (2S)-2-[(2S,4S,6R)-2-cyclopropyl-6-methyloxan-4-yl]-2-formamidoacetate
CID 118156831
ethyl 2-formamido-3-hydroxy-3-(4-methylcyclohexyl)propanoate
CID 66204905
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl (2R)-3-amino-2-cyclohexylpropanoate
CID 86315774
ethyl 2-cyclohexyl-4-hydroxypentanoate
CID 10466333
ethyl 2-(cyclohexylamino)-2-(oxolan-3-yl)acetate
CID 54892505
diethyl 2-[cyclopentyl(hydroxy)methyl]propanedioate
CID 55071984

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cycloheptyl-2-formamidoacetate?
The IUPAC name of ethyl 2-cycloheptyl-2-formamidoacetate (CID 163197902) is ethyl 2-cycloheptyl-2-formamidoacetate.
What is the SMILES notation for ethyl 2-cycloheptyl-2-formamidoacetate?
The canonical SMILES for ethyl 2-cycloheptyl-2-formamidoacetate is CCOC(=O)C(NC=O)C1CCCCCC1.
What is the InChIKey of ethyl 2-cycloheptyl-2-formamidoacetate?
The InChIKey is UAVLWPPOMXFQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-16-12(15)11(13-9-14)10-7-5-3-4-6-8-10/h9-11H,2-8H2,1H3,(H,13,14).
What are the key properties of ethyl 2-cycloheptyl-2-formamidoacetate?
ethyl 2-cycloheptyl-2-formamidoacetate has a molecular weight of 227.30 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cycloheptyl-2-formamidoacetate is sourced from PubChem (CID 163197902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).