4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid

C11H20N2O5 — CID 80541797

IUPAC4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCOC(=O)CN(C)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-18-9(14)7-13(3)11(17)12-6-5-8(2)10(15)16/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyVKTFDIDDHJGIBF-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.30
Rot. Bonds7

About 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid

4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid (PubChem CID 80541797) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
PubChem CID80541797
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCOC(=O)CN(C)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-4-18-9(14)7-13(3)11(17)12-6-5-8(2)10(15)16/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyVKTFDIDDHJGIBF-UHFFFAOYSA-N
XLogP0.30
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541817
3-[(4-ethoxy-4-oxobutyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 64575850
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
2-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]-2-ethylbutanoic acid
CID 115431007
2-methyl-4-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]butanoic acid
CID 80541149
ethyl 2-[benzylcarbamoyl(methyl)amino]acetate
CID 10243836
1-[[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446609
(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839122

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid (CID 80541797) is 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid is CCOC(=O)CN(C)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is VKTFDIDDHJGIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-4-18-9(14)7-13(3)11(17)12-6-5-8(2)10(15)16/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid?
4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80541797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).