2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid

C15H19NO5 — CID 68826360

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
SMILESCC(C)(C)OC(=O)NC(CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-11(13(18)19)9-12(17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUYBVBOASUUTFDS-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.24
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid (PubChem CID 68826360) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
PubChem CID68826360
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
SMILESCC(C)(C)OC(=O)NC(CC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-11(13(18)19)9-12(17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyUYBVBOASUUTFDS-UHFFFAOYSA-N
XLogP2.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid (CID 68826360) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid is CC(C)(C)OC(=O)NC(CC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid?
The InChIKey is UYBVBOASUUTFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-11(13(18)19)9-12(17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid is sourced from PubChem (CID 68826360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).