2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid

C14H19NO4 — CID 3780288

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h5-9H,1-4H3,(H,15,18)(H,16,17)
InChIKeyDPEXSBVYSDUSEF-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.22
Rot. Bonds3

About 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid

2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid (PubChem CID 3780288) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
PubChem CID3780288
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H19NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h5-9H,1-4H3,(H,15,18)(H,16,17)
InChIKeyDPEXSBVYSDUSEF-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid (CID 3780288) is 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid is CC(C(=O)O)c1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid?
The InChIKey is DPEXSBVYSDUSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(12(16)17)10-5-7-11(8-6-10)15-13(18)19-14(2,3)4/h5-9H,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid?
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]propanoic acid is sourced from PubChem (CID 3780288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).