ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate

C11H19NO3 — CID 60895559

IUPACethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCCCC1C
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)10(13)12-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRNHDHRIXEQITQM-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds2

About ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate

ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate (PubChem CID 60895559) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
PubChem CID60895559
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCCCC1C
InChIInChI=1S/C11H19NO3/c1-3-15-11(14)10(13)12-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyRNHDHRIXEQITQM-UHFFFAOYSA-N
XLogP1.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.24
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

ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate
CID 62409233
ethyl 2-[[2-[(2-iodo-2-oxoacetyl)amino]cyclohexyl]amino]-2-oxoacetate
CID 126540527
N'-[(1R,2S)-2-methylcyclohexyl]oxamide
CID 124605602
N-(3-ethoxypropyl)-N'-(2-methylcyclohexyl)oxamide
CID 108505284
ethyl 2-[[(1S,2R)-2-methylcyclohexyl]amino]acetate
CID 28582368
(2-methylcyclohexyl)urea
CID 3345444
N'-[(2R)-butan-2-yl]-N-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 11897539
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
1-ethyl-3-(2-methylcyclohexyl)urea
CID 112682943
N-(2-methylcyclohexyl)butanamide
CID 47005567
N,N'-bis(2-methylcyclohexyl)methanediamine;diethyl (Z)-but-2-enedioate
CID 160878608
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate (CID 60895559) is ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC1CCCCC1C.
What is the InChIKey of ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate?
The InChIKey is RNHDHRIXEQITQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-11(14)10(13)12-9-7-5-4-6-8(9)2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate?
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate has a molecular weight of 213.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate is sourced from PubChem (CID 60895559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).