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

C12H23N3O4 — CID 113308163

IUPAC3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(CC(=O)N(C)C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-6-15(7-9(16)14(4)5)11(19)13-8-12(2,3)10(17)18/h6-8H2,1-5H3,(H,13,19)(H,17,18)
InChIKeyWKNXVJLQIMXXCC-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.22
Rot. Bonds6

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

3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 113308163) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
PubChem CID113308163
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
SMILESCCN(CC(=O)N(C)C)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C12H23N3O4/c1-6-15(7-9(16)14(4)5)11(19)13-8-12(2,3)10(17)18/h6-8H2,1-5H3,(H,13,19)(H,17,18)
InChIKeyWKNXVJLQIMXXCC-UHFFFAOYSA-N
XLogP0.22
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-2,2-dimethylpropanoic acid
CID 79621524
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
3-[[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]methyl]pentanoic acid
CID 81069933
3-(diethylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103824126
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpropanoic acid
CID 55002388
5-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-methylpentanoic acid
CID 82689316
(2R)-4-amino-2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-4-oxobutanoic acid
CID 107826733
2-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 61449918

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid (CID 113308163) is 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid is CCN(CC(=O)N(C)C)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is WKNXVJLQIMXXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-6-15(7-9(16)14(4)5)11(19)13-8-12(2,3)10(17)18/h6-8H2,1-5H3,(H,13,19)(H,17,18).
What are the key properties of 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid?
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).