ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate

C12H24N2O3 — CID 54948885

IUPACethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-17-10(15)8-13-11(16)14(6)9(2)12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)
InChIKeyVJZAJXORPUBYDN-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.63
Rot. Bonds4

About ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate

ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate (PubChem CID 54948885) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
PubChem CID54948885
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C(C)C(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-7-17-10(15)8-13-11(16)14(6)9(2)12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16)
InChIKeyVJZAJXORPUBYDN-UHFFFAOYSA-N
XLogP1.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
CID 63960119
ethyl 2-[[1-(4-chlorophenyl)ethyl-methylcarbamoyl]amino]acetate
CID 47278093
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-prop-2-enylurea
CID 95351070
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
1-(3,3-dimethylbutan-2-yl)-1,3-dimethylurea
CID 115578826
ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
CID 79491699
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2S)-2-amino-N-[2-[3,3-dimethylbutan-2-yl(methyl)amino]-2-oxoethyl]-3-methylbutanamide
CID 82962169
ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate (CID 54948885) is ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)C(C)C(C)(C)C.
What is the InChIKey of ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate?
The InChIKey is VJZAJXORPUBYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-7-17-10(15)8-13-11(16)14(6)9(2)12(3,4)5/h9H,7-8H2,1-6H3,(H,13,16).
What are the key properties of ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate?
ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate has a molecular weight of 244.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate is sourced from PubChem (CID 54948885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).