ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate

C15H28N2O3 — CID 63046601

IUPACethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H28N2O3/c1-4-20-14(18)10-17(9-11(2)3)15(19)12-6-5-7-13(16)8-12/h11-13H,4-10,16H2,1-3H3
InChIKeyGKQSXTPFWSLVBR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.55
Rot. Bonds6

About ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate (PubChem CID 63046601) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
PubChem CID63046601
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1CCCC(N)C1
InChIInChI=1S/C15H28N2O3/c1-4-20-14(18)10-17(9-11(2)3)15(19)12-6-5-7-13(16)8-12/h11-13H,4-10,16H2,1-3H3
InChIKeyGKQSXTPFWSLVBR-UHFFFAOYSA-N
XLogP1.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
CID 55147699
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55135498
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
ethyl 2-[2-methylpropyl-(3-methylpyrrolidine-2-carbonyl)amino]acetate
CID 102778708
ethyl 2-[2-methylpropyl-(2-methylpyrrolidine-3-carbonyl)amino]acetate
CID 79388606
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835221
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
3-amino-N-butan-2-yl-N-ethylcyclohexane-1-carboxamide
CID 62777350
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151
ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
CID 82764089
ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate (CID 63046601) is ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)C1CCCC(N)C1.
What is the InChIKey of ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate?
The InChIKey is GKQSXTPFWSLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-20-14(18)10-17(9-11(2)3)15(19)12-6-5-7-13(16)8-12/h11-13H,4-10,16H2,1-3H3.
What are the key properties of ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 63046601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).