4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid

C11H18N2O6 — CID 55006758

IUPAC4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCOC(=O)CN(C(=O)NC(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H18N2O6/c1-7(2)13(6-10(17)19-3)11(18)12-8(14)4-5-9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,18)
InChIKeyRAZDSGRGPUYGGY-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.03
Rot. Bonds6

About 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid

4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid (PubChem CID 55006758) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
PubChem CID55006758
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCOC(=O)CN(C(=O)NC(=O)CCC(=O)O)C(C)C
InChIInChI=1S/C11H18N2O6/c1-7(2)13(6-10(17)19-3)11(18)12-8(14)4-5-9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,18)
InChIKeyRAZDSGRGPUYGGY-UHFFFAOYSA-N
XLogP-0.03
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 66168049
(2S)-2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 107839292
3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
CID 81069874
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 55157133
methyl 2-[3-aminopropanoyl(propan-2-yl)amino]acetate
CID 60946562
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740
2-[ethyl-[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]acetic acid
CID 55209009
methyl 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113226999
methyl 2-[cyclobutylcarbamoyl(propan-2-yl)amino]acetate
CID 116655081
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62025905

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid (CID 55006758) is 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid is COC(=O)CN(C(=O)NC(=O)CCC(=O)O)C(C)C.
What is the InChIKey of 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is RAZDSGRGPUYGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(2)13(6-10(17)19-3)11(18)12-8(14)4-5-9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,18).
What are the key properties of 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid?
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 55006758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).