2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid

C11H20N2O5 — CID 14333290

IUPAC2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(9(16)13(5)6-8(14)15)12-10(17)18-11(2,3)4/h7H,6H2,1-5H3,(H,12,17)(H,14,15)
InChIKeyZYTWVMYBKUNPIN-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.44
Rot. Bonds4

About 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid

2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid (PubChem CID 14333290) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid
PubChem CID14333290
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid
SMILESCC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(9(16)13(5)6-8(14)15)12-10(17)18-11(2,3)4/h7H,6H2,1-5H3,(H,12,17)(H,14,15)
InChIKeyZYTWVMYBKUNPIN-UHFFFAOYSA-N
XLogP0.44
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid (CID 14333290) is 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid is CC(NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid?
The InChIKey is ZYTWVMYBKUNPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(9(16)13(5)6-8(14)15)12-10(17)18-11(2,3)4/h7H,6H2,1-5H3,(H,12,17)(H,14,15).
What are the key properties of 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid?
2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid has a molecular weight of 260.29 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetic acid is sourced from PubChem (CID 14333290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).