3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid

C11H20N2O5 — CID 11425445

IUPAC3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCC(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-6-4-8(14)12-7-5-9(15)16/h4-7H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyUAFBXOICOJEVCQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.49
Rot. Bonds6

About 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid

3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid (PubChem CID 11425445) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
PubChem CID11425445
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCC(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-6-4-8(14)12-7-5-9(15)16/h4-7H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyUAFBXOICOJEVCQ-UHFFFAOYSA-N
XLogP0.49
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
The IUPAC name of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid (CID 11425445) is 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid.
What is the SMILES notation for 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
The canonical SMILES for 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid is CC(C)(C)OC(=O)NCCC(=O)NCCC(=O)O.
What is the InChIKey of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
The InChIKey is UAFBXOICOJEVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2,3)18-10(17)13-6-4-8(14)12-7-5-9(15)16/h4-7H2,1-3H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 11425445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).