2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid

C10H17NO5 — CID 71742184

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1COC1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(8(12)13)6-4-15-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyZGLWUVSYEVUTKH-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.61
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid (PubChem CID 71742184) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid
PubChem CID71742184
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1COC1
InChIInChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(8(12)13)6-4-15-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyZGLWUVSYEVUTKH-UHFFFAOYSA-N
XLogP0.61
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid (CID 71742184) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid is CC(C)(C)OC(=O)NC(C(=O)O)C1COC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid?
The InChIKey is ZGLWUVSYEVUTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-7(8(12)13)6-4-15-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid has a molecular weight of 231.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxetan-3-yl)acetic acid is sourced from PubChem (CID 71742184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).