2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C13H23NO4 — CID 3559319

IUPAC2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQSUXZIPXYDQFCX-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.54
Rot. Bonds3

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

2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 3559319) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID3559319
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyQSUXZIPXYDQFCX-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
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-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 3559319) is 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is QSUXZIPXYDQFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-10(11(15)16)9-7-5-4-6-8-9/h9-10H,4-8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 257.33 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-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 3559319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).