ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate

C15H27NO3 — CID 11521869

IUPACethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)
InChIKeyGWRCTWAPTXBPHW-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.37
Rot. Bonds5

About ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate

ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate (PubChem CID 11521869) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
PubChem CID11521869
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nameethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C
InChIInChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18)
InChIKeyGWRCTWAPTXBPHW-UHFFFAOYSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((Ethoxycarbonyl)methyl)-p-menthane-3-carboxamide
CID 11615984
ethyl N-[(4-ethylcyclohexyl)carbonyl]valylalaninate
CID 3236211
l-Alanine, N-cyclohexylcarbonyl-, methyl ester
CID 558276
ST089299
CID 344675
Glycine, N-(((1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl)carbonyl)-, 1-methylethyl ester
CID 57378005
Methyl 2-(cyclohexylformamido)acetate
CID 558269
methyl (cyclohexanecarbonyl)-L-alaninate
CID 2476646
Dimethyl 2-{[(2-isopropyl-5-methylcyclohexyl)carbonyl]amino}succinate
CID 42647548
Methyl 2-[[3-[(2-methoxy-2-oxoethyl)carbamoyl]cyclohexanecarbonyl]amino]acetate
CID 47081989
Ethyl 2-[[3-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]cyclohexanecarbonyl]amino]propanoate
CID 51126861
Ethyl N-(2-isopropylcycloheptanecarbonyl)glycinate
CID 91880
Ethyl N-(1-isopropyl-2-methylcycloheptanecarbonyl)glycinate
CID 91883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate (CID 11521869) is ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CC(C)CCC1C(C)C.
What is the InChIKey of ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
The InChIKey is GWRCTWAPTXBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-5-19-14(17)9-16-15(18)13-8-11(4)6-7-12(13)10(2)3/h10-13H,5-9H2,1-4H3,(H,16,18).
What are the key properties of ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate?
ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate has a molecular weight of 269.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]acetate is sourced from PubChem (CID 11521869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).