5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid

C11H18N2O6 — CID 55157133

IUPAC5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)CN(C)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(5-9(15)16)4-8(14)12-11(18)13(2)6-10(17)19-3/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,18)
InChIKeyMLBJVWUYTOKKBO-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.17
Rot. Bonds6

About 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid

5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 55157133) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID55157133
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCOC(=O)CN(C)C(=O)NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C11H18N2O6/c1-7(5-9(15)16)4-8(14)12-11(18)13(2)6-10(17)19-3/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,18)
InChIKeyMLBJVWUYTOKKBO-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[benzyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62942041
5-[bis(2-methoxy-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62956088
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965168
5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965679
3-methoxy-4-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 103158193
3-methyl-5-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 63707561
5-[[ethyl(2-methylpropyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62966207
3-[[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]methyl]pentanoic acid
CID 81072974
3-amino-4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoic acid
CID 64895138
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
CID 55006758
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]pentanedioic acid
CID 61192921
4-amino-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61193149

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid (CID 55157133) is 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid is COC(=O)CN(C)C(=O)NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is MLBJVWUYTOKKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-7(5-9(15)16)4-8(14)12-11(18)13(2)6-10(17)19-3/h7H,4-6H2,1-3H3,(H,15,16)(H,12,14,18).
What are the key properties of 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 55157133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).