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

C14H19NO5 — CID 18931575

IUPAC2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKeyKRHZKJYHTQGZGS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.35
Rot. Bonds4

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

2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (PubChem CID 18931575) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
PubChem CID18931575
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
SMILESCOc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)
InChIKeyKRHZKJYHTQGZGS-UHFFFAOYSA-N
XLogP2.35
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The IUPAC name of 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid (CID 18931575) is 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is COc1ccccc1C(NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
The InChIKey is KRHZKJYHTQGZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-7-5-6-8-10(9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid?
2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid is sourced from PubChem (CID 18931575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).