ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate

C11H21N3O4 — CID 113278352

IUPACethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H21N3O4/c1-5-18-8(15)6-13-10(17)14-7-11(2,3)9(16)12-4/h5-7H2,1-4H3,(H,12,16)(H2,13,14,17)
InChIKeyYGLHFHPQJSMTBY-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.38
Rot. Bonds6

About ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate

ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate (PubChem CID 113278352) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
PubChem CID113278352
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Nameethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCC(C)(C)C(=O)NC
InChIInChI=1S/C11H21N3O4/c1-5-18-8(15)6-13-10(17)14-7-11(2,3)9(16)12-4/h5-7H2,1-4H3,(H,12,16)(H2,13,14,17)
InChIKeyYGLHFHPQJSMTBY-UHFFFAOYSA-N
XLogP-0.38
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]acetate
CID 103096935
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
ethyl 2-amino-3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-3-oxopropanoate
CID 114167338
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
ethyl 2-(3-ethylpentan-3-ylcarbamoylamino)acetate
CID 65043048
ethyl 2-(3,3,3-trifluoropropylcarbamoylamino)acetate
CID 60969883
ethyl 2-(hexylcarbamoylamino)acetate
CID 60648696
ethyl 2-(2,3-dimethylbutylcarbamoylamino)acetate
CID 64597443

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate?
The IUPAC name of ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate (CID 113278352) is ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate is CCOC(=O)CNC(=O)NCC(C)(C)C(=O)NC.
What is the InChIKey of ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate?
The InChIKey is YGLHFHPQJSMTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-18-8(15)6-13-10(17)14-7-11(2,3)9(16)12-4/h5-7H2,1-4H3,(H,12,16)(H2,13,14,17).
What are the key properties of ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate?
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate has a molecular weight of 259.31 g/mol, XLogP of -0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate is sourced from PubChem (CID 113278352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).