methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate

C15H21NO4 — CID 21357701

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
SMILESCOC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-15(4,12(17)19-5)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,18)
InChIKeyORSZIGBBKCMQKH-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds3

About methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate

methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate (PubChem CID 21357701) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
PubChem CID21357701
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
SMILESCOC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-15(4,12(17)19-5)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,18)
InChIKeyORSZIGBBKCMQKH-UHFFFAOYSA-N
XLogP2.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate (CID 21357701) is methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate is COC(=O)C(C)(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
The InChIKey is ORSZIGBBKCMQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,3)20-13(18)16-15(4,12(17)19-5)11-9-7-6-8-10-11/h6-10H,1-5H3,(H,16,18).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate has a molecular weight of 279.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate is sourced from PubChem (CID 21357701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).