3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid

C12H22N2O5 — CID 115428627

IUPAC3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-14(7-9(15)19-6-2)11(18)13-8-12(3,4)10(16)17/h5-8H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyQWNJVKKUFBCWKX-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.69
Rot. Bonds7

About 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid

3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115428627) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115428627
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCOC(=O)CN(CC)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-5-14(7-9(15)19-6-2)11(18)13-8-12(3,4)10(16)17/h5-8H2,1-4H3,(H,13,18)(H,16,17)
InChIKeyQWNJVKKUFBCWKX-UHFFFAOYSA-N
XLogP0.69
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
ethyl 2-[tert-butylcarbamoyl(ethyl)amino]acetate
CID 61012269
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
4-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 81069497
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428456
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
1-[[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446641
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
(2R)-4-amino-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827068
ethyl 2-[cyclopropylcarbamoyl(ethyl)amino]acetate
CID 62700813
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid (CID 115428627) is 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid is CCOC(=O)CN(CC)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is QWNJVKKUFBCWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-5-14(7-9(15)19-6-2)11(18)13-8-12(3,4)10(16)17/h5-8H2,1-4H3,(H,13,18)(H,16,17).
What are the key properties of 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).