ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate

C10H18N2O3 — CID 165449507

IUPACethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H18N2O3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyOYPDARPXGKPDDX-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.06
Rot. Bonds2

About ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate

ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate (PubChem CID 165449507) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
PubChem CID165449507
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCC(N)CC1
InChIInChI=1S/C10H18N2O3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h7-8H,2-6,11H2,1H3,(H,12,13)
InChIKeyOYPDARPXGKPDDX-UHFFFAOYSA-N
XLogP-0.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
CID 114550597
N-(4-aminocyclohexyl)-2-ethoxypropanamide
CID 119478328
ethyl 2-[(1,1-dioxothian-3-yl)amino]-2-oxoacetate
CID 63924377
ethyl 2-[[2-[(2-iodo-2-oxoacetyl)amino]cyclohexyl]amino]-2-oxoacetate
CID 126540527
ethyl 2-[[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]amino]-2-oxoacetate
CID 90634183
ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate
CID 62409233
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
CID 119475217
ethyl 2-[(1-cyclopentylpyrrolidin-3-yl)amino]-2-oxoacetate
CID 110461541
N-(4-aminocyclohexyl)-3,3-dimethyl-2-oxobutanamide;hydrochloride
CID 166227849
ethyl 2-[(2-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate (CID 165449507) is ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC1CCC(N)CC1.
What is the InChIKey of ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate?
The InChIKey is OYPDARPXGKPDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-15-10(14)9(13)12-8-5-3-7(11)4-6-8/h7-8H,2-6,11H2,1H3,(H,12,13).
What are the key properties of ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate?
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate has a molecular weight of 214.26 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate is sourced from PubChem (CID 165449507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).