ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate

C10H17NO3 — CID 89199778

IUPACethyl 2-(2-aminocyclohexen-1-yl)oxyacetate
SMILESCCOC(=O)COC1=C(N)CCCC1
InChIInChI=1S/C10H17NO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h2-7,11H2,1H3
InChIKeyQCKPVBDRWAYXRB-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.31
Rot. Bonds4

About ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate

ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate (PubChem CID 89199778) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(2-aminocyclohexen-1-yl)oxyacetate
PubChem CID89199778
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(2-aminocyclohexen-1-yl)oxyacetate
SMILESCCOC(=O)COC1=C(N)CCCC1
InChIInChI=1S/C10H17NO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h2-7,11H2,1H3
InChIKeyQCKPVBDRWAYXRB-UHFFFAOYSA-N
XLogP1.31
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
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CID 4513854
ethyl (2-methylcyclohexen-1-yl) carbonate
CID 12592129
ethyl 2-(4-amino-3-ethyl-5-methylphenoxy)acetate
CID 168944648
ethyl 2-[4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)phenoxy]acetate
CID 69222609
(2-ethoxy-2-oxoethyl) 2-cyclohexylpropanoate
CID 68576140
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
ethyl 2-[(2-amino-6-ethoxy-2,3-dihydro-1H-inden-5-yl)oxy]acetate
CID 166125448
ethyl 2-[(4-isothiocyanato-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
CID 88545320
ethyl 2-[2-(2-oxopiperidin-1-yl)-5-[(2-phenylacetyl)amino]phenoxy]acetate
CID 70005902
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate?
The IUPAC name of ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate (CID 89199778) is ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate?
The canonical SMILES for ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate is CCOC(=O)COC1=C(N)CCCC1.
What is the InChIKey of ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate?
The InChIKey is QCKPVBDRWAYXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h2-7,11H2,1H3.
What are the key properties of ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate?
ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate has a molecular weight of 199.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate is sourced from PubChem (CID 89199778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).