3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid

C10H17NO4 — CID 24720963

IUPAC3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyKLCYDBAYYYVNFM-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.37
Rot. Bonds2

About 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid

3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid (PubChem CID 24720963) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
PubChem CID24720963
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1CC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyKLCYDBAYYYVNFM-UHFFFAOYSA-N
XLogP1.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid (CID 24720963) is 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is KLCYDBAYYYVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 24720963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).