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

C8H13NO3 — CID 62409233

IUPACethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CC1C
InChIInChI=1S/C8H13NO3/c1-3-12-8(11)7(10)9-6-4-5(6)2/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyJXRFICQHEXTCCF-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds2

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

ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate (PubChem CID 62409233) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate
PubChem CID62409233
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CC1C
InChIInChI=1S/C8H13NO3/c1-3-12-8(11)7(10)9-6-4-5(6)2/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyJXRFICQHEXTCCF-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
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-methylcyclohexyl)amino]-2-oxoacetate
CID 60895559
ethyl 2-[[2-[(2-iodo-2-oxoacetyl)amino]cyclohexyl]amino]-2-oxoacetate
CID 126540527
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
ethyl 2-oxo-2-[(4-propylcyclohexyl)amino]acetate
CID 54963755
ethyl 2-[(3,3-dimethylcyclopentyl)amino]-2-oxoacetate
CID 114550597
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
1-amino-3-(2-methylcyclopropyl)urea
CID 62408837
ethyl 2-oxo-2-(1,2,2-trifluoroethylamino)acetate
CID 175476798
ethyl 2-[(1,1-dioxothian-3-yl)amino]-2-oxoacetate
CID 63924377
2-(aminomethyl)-N-(2-methylcyclopropyl)butanamide
CID 62397142
methyl 2-[(2,4-dimethylcyclohexyl)amino]-2-oxoacetate
CID 112617292
1-amino-3-ethoxy-2,2-dimethyl-N-(2-methylcyclopropyl)cyclobutane-1-carboxamide
CID 114829122

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate (CID 62409233) is ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC1CC1C.
What is the InChIKey of ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate?
The InChIKey is JXRFICQHEXTCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-12-8(11)7(10)9-6-4-5(6)2/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate?
ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate has a molecular weight of 171.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methylcyclopropyl)amino]-2-oxoacetate is sourced from PubChem (CID 62409233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).