ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate

C12H21NO3 — CID 79351134

IUPACethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate
SMILESCCOC(=O)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-6-16-10(15)9(14)13-7-8-11(2,3)12(8,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyZREZCSRHAXLTDX-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds3

About ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate

ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate (PubChem CID 79351134) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate
PubChem CID79351134
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate
SMILESCCOC(=O)C(=O)NCC1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-6-16-10(15)9(14)13-7-8-11(2,3)12(8,4)5/h8H,6-7H2,1-5H3,(H,13,14)
InChIKeyZREZCSRHAXLTDX-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
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-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
(2S,3S)-2-amino-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79363377
2-amino-2-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79810605
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
CID 60894132
ethyl 2-[2-(oxan-4-yl)ethylamino]-2-oxoacetate
CID 115142074
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
2-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pentanamide
CID 79358922
ethyl 2-oxo-2-(3-pyrrol-1-ylpropylamino)acetate
CID 90500544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate (CID 79351134) is ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate is CCOC(=O)C(=O)NCC1C(C)(C)C1(C)C.
What is the InChIKey of ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate?
The InChIKey is ZREZCSRHAXLTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-6-16-10(15)9(14)13-7-8-11(2,3)12(8,4)5/h8H,6-7H2,1-5H3,(H,13,14).
What are the key properties of ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate?
ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate has a molecular weight of 227.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate is sourced from PubChem (CID 79351134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).