2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

C12H22N2O5 — CID 104764167

IUPAC2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOC1(CNC(=O)N(C)C(C)(C)C(=O)O)CCOC1
InChIInChI=1S/C12H22N2O5/c1-11(2,9(15)16)14(3)10(17)13-7-12(18-4)5-6-19-8-12/h5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYLHCEORNQJQXCR-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.30
Rot. Bonds5

About 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid

2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 104764167) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID104764167
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
SMILESCOC1(CNC(=O)N(C)C(C)(C)C(=O)O)CCOC1
InChIInChI=1S/C12H22N2O5/c1-11(2,9(15)16)14(3)10(17)13-7-12(18-4)5-6-19-8-12/h5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyYLHCEORNQJQXCR-UHFFFAOYSA-N
XLogP0.30
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid (CID 104764167) is 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is COC1(CNC(=O)N(C)C(C)(C)C(=O)O)CCOC1.
What is the InChIKey of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is YLHCEORNQJQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(2,9(15)16)14(3)10(17)13-7-12(18-4)5-6-19-8-12/h5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid?
2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyoxolan-3-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 104764167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).