2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C13H15Cl2NO4 — CID 22309181

IUPAC2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-8(14)6-9(15)5-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChIKeyKJSGAMITXFBSOT-UHFFFAOYSA-N
MW320.17 g/mol
LogP3.64
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 22309181) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID22309181
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Name2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-8(14)6-9(15)5-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18)
InChIKeyKJSGAMITXFBSOT-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 22309181) is 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is CC(C)(C)OC(=O)NC(C(=O)O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is KJSGAMITXFBSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-13(2,3)20-12(19)16-10(11(17)18)7-4-8(14)6-9(15)5-7/h4-6,10H,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 320.17 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 22309181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).