ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate

C11H19NO3 — CID 114550597

IUPACethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-4-15-10(14)9(13)12-8-5-6-11(2,3)7-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyTWKAOBXDHHILCX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.24
Rot. Bonds2

About ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate

ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate (PubChem CID 114550597) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
PubChem CID114550597
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCC(C)(C)C1
InChIInChI=1S/C11H19NO3/c1-4-15-10(14)9(13)12-8-5-6-11(2,3)7-8/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyTWKAOBXDHHILCX-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-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
N-(3,3-dimethylcyclopentyl)-4-ethoxybutanamide
CID 115881736
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
CID 114544484
ethyl 2-oxo-2-[[(3R,5R,8S,9S,10S,13R,14S,17S)-10,13,17-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]acetate
CID 130339113
ethyl 4-[[(3,3-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106499837
2-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-N-methylacetamide
CID 114448902
ethyl 3-amino-2-[(3,3-dimethylcyclopentyl)amino]benzoate
CID 114550835
N-(3,3-dimethylcyclopentyl)-2-(4-ethylphenoxy)acetamide
CID 115880657
4-butyl-N-(3,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 114550438
3-[(3,3-dimethylcyclopentyl)amino]-N,N-diethylpropanamide
CID 80706316
ethyl 2-[(1,1-dioxothian-3-yl)amino]-2-oxoacetate
CID 63924377

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate (CID 114550597) is ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC1CCC(C)(C)C1.
What is the InChIKey of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate?
The InChIKey is TWKAOBXDHHILCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-10(14)9(13)12-8-5-6-11(2,3)7-8/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate?
ethyl 2-[(3,3-dimethylcyclopentyl)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-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate is sourced from PubChem (CID 114550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).