ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate

C9H18N2O3 — CID 43445755

IUPACethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C(C)C
InChIInChI=1S/C9H18N2O3/c1-5-14-8(12)6-10-9(13)11(4)7(2)3/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyOEBKLSHOZJKKBI-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.60
Rot. Bonds4

About ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate

ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate (PubChem CID 43445755) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
PubChem CID43445755
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(C)C(C)C
InChIInChI=1S/C9H18N2O3/c1-5-14-8(12)6-10-9(13)11(4)7(2)3/h7H,5-6H2,1-4H3,(H,10,13)
InChIKeyOEBKLSHOZJKKBI-UHFFFAOYSA-N
XLogP0.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
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ethyl 2-(diethylcarbamoylamino)acetate
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ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
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ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
CID 79491699
(2-ethoxy-2-oxoethyl)carbamic acid
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ethyl 2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetate
CID 60968980
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
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ethyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115589392
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate (CID 43445755) is ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(C)C(C)C.
What is the InChIKey of ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate?
The InChIKey is OEBKLSHOZJKKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-14-8(12)6-10-9(13)11(4)7(2)3/h7H,5-6H2,1-4H3,(H,10,13).
What are the key properties of ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate?
ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate has a molecular weight of 202.25 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate is sourced from PubChem (CID 43445755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).