2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

C14H19NO4 — CID 22309178

IUPAC2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCc1cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(8-9)11(12(16)17)15-13(18)19-14(2,3)4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKeyKLVVTGRHRBWUAO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.65
Rot. Bonds3

About 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid

2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 22309178) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID22309178
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCc1cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9-6-5-7-10(8-9)11(12(16)17)15-13(18)19-14(2,3)4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKeyKLVVTGRHRBWUAO-UHFFFAOYSA-N
XLogP2.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 22309178) is 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is Cc1cccc(C(NC(=O)OC(C)(C)C)C(=O)O)c1.
What is the InChIKey of 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is KLVVTGRHRBWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-5-7-10(8-9)11(12(16)17)15-13(18)19-14(2,3)4/h5-8,11H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 22309178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).