2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid

C12H22N2O5 — CID 62822215

IUPAC2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCOC(=O)C(C)CN(C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(9(15)19-6)7-13(4)11(18)14(5)12(2,3)10(16)17/h8H,7H2,1-6H3,(H,16,17)
InChIKeyUCPUPASSGWYUQG-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.64
Rot. Bonds5

About 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid

2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62822215) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID62822215
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCOC(=O)C(C)CN(C)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-8(9(15)19-6)7-13(4)11(18)14(5)12(2,3)10(16)17/h8H,7H2,1-6H3,(H,16,17)
InChIKeyUCPUPASSGWYUQG-UHFFFAOYSA-N
XLogP0.64
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid (CID 62822215) is 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid is COC(=O)C(C)CN(C)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is UCPUPASSGWYUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-8(9(15)19-6)7-13(4)11(18)14(5)12(2,3)10(16)17/h8H,7H2,1-6H3,(H,16,17).
What are the key properties of 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid?
2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62822215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).