6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid

C14H23NO4 — CID 118992270

IUPAC6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-4-6-14(7-5-9)8-10(14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZVLAJPFWOQGYPB-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.54
Rot. Bonds2

About 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid (PubChem CID 118992270) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid
PubChem CID118992270
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC2C(=O)O
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-4-6-14(7-5-9)8-10(14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZVLAJPFWOQGYPB-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid (CID 118992270) is 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid is CC(C)(C)OC(=O)NC1CCC2(CC1)CC2C(=O)O.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid?
The InChIKey is ZVLAJPFWOQGYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-9-4-6-14(7-5-9)8-10(14)11(16)17/h9-10H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 118992270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).