ethyl 2-(cyclohexylamino)-2-oxoacetate

C10H17NO3 — CID 3412789

IUPACethyl 2-(cyclohexylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyZJDVUWCDXGSPFH-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.00
Rot. Bonds2

About ethyl 2-(cyclohexylamino)-2-oxoacetate

ethyl 2-(cyclohexylamino)-2-oxoacetate (PubChem CID 3412789) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-(cyclohexylamino)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(cyclohexylamino)-2-oxoacetate
PubChem CID3412789
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-(cyclohexylamino)-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCCCC1
InChIInChI=1S/C10H17NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyZJDVUWCDXGSPFH-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-butoxy-N-cyclohexyl-
CID 94879
Ethyl 2-(cyclohexylamino)acetate hydrochloride
CID 13089670
rac-2-methoxy-N-[(1r,4r)-4-aminocyclohexyl]acetamide hydrochloride
CID 86277382
Ethyl 2-(dicyclohexylamino)-2-oxoacetate
CID 60895202
Acetic acid, 2-(cyclopentylamino)-2-oxo-, ethyl ester
CID 3413433
Oxalic acid, monoamide, n-butyl-, ethyl ester
CID 3412787
N-(4-aminocyclohexyl)-2-methoxyacetamide
CID 61279804
N-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 13049545
N-cyclohexyl-2-methoxyacetamide
CID 16753097
Ethyl 2-(hexanoylamino)propanoate
CID 21954222
(2S)-N-cyclohexyl-2-[(2-methoxyacetyl)amino]propanamide
CID 38406148
Ethyl 2-(cyclohexylamino)acetate
CID 11679939

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohexylamino)-2-oxoacetate?
The IUPAC name of ethyl 2-(cyclohexylamino)-2-oxoacetate (CID 3412789) is ethyl 2-(cyclohexylamino)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(cyclohexylamino)-2-oxoacetate?
The canonical SMILES for ethyl 2-(cyclohexylamino)-2-oxoacetate is CCOC(=O)C(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-(cyclohexylamino)-2-oxoacetate?
The InChIKey is ZJDVUWCDXGSPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-14-10(13)9(12)11-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of ethyl 2-(cyclohexylamino)-2-oxoacetate?
ethyl 2-(cyclohexylamino)-2-oxoacetate has a molecular weight of 199.25 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohexylamino)-2-oxoacetate is sourced from PubChem (CID 3412789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).