2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid

C14H23NO4 — CID 135392170

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1CC2(CCC2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-10(11(16)17)9-7-14(8-9)5-4-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyFICMJTKJQCTTIZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.54
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid (PubChem CID 135392170) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid
PubChem CID135392170
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1CC2(CCC2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-10(11(16)17)9-7-14(8-9)5-4-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyFICMJTKJQCTTIZ-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid (CID 135392170) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid is CC(C)(C)OC(=O)NC(C(=O)O)C1CC2(CCC2)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid?
The InChIKey is FICMJTKJQCTTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-10(11(16)17)9-7-14(8-9)5-4-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid has a molecular weight of 269.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-spiro[3.3]heptan-2-ylacetic acid is sourced from PubChem (CID 135392170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).