ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate

C11H22N2O3 — CID 61478574

IUPACethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C11H22N2O3/c1-6-16-11(15)10(14)12-9(8(2)3)7-13(4)5/h8-9H,6-7H2,1-5H3,(H,12,14)
InChIKeyLDINIKCEIFIGHV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.25
Rot. Bonds5

About ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate

ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate (PubChem CID 61478574) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
PubChem CID61478574
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(CN(C)C)C(C)C
InChIInChI=1S/C11H22N2O3/c1-6-16-11(15)10(14)12-9(8(2)3)7-13(4)5/h8-9H,6-7H2,1-5H3,(H,12,14)
InChIKeyLDINIKCEIFIGHV-UHFFFAOYSA-N
XLogP0.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-2-oxoacetate
CID 65048237
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
1-butyl-3-[1-(dimethylamino)-3-methylbutan-2-yl]urea
CID 115585871
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
CID 103113071
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(methylamino)propanamide
CID 62639532
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]-2-methylpropanoic acid
CID 54958910
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296
ethyl 2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)acetate
CID 155330526
5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 55156179
3-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-ethoxybenzamide
CID 61476191
4-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]oxolane-3-carboxamide
CID 66238292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate (CID 61478574) is ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)NC(CN(C)C)C(C)C.
What is the InChIKey of ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate?
The InChIKey is LDINIKCEIFIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-6-16-11(15)10(14)12-9(8(2)3)7-13(4)5/h8-9H,6-7H2,1-5H3,(H,12,14).
What are the key properties of ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate?
ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate has a molecular weight of 230.31 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetate is sourced from PubChem (CID 61478574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).