tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate

C15H21NO4 — CID 90091076

IUPACtert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccccc1C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(16-14(18)20-15(2,3)4)13(17)11-8-6-7-9-12(11)19-5/h6-10H,1-5H3,(H,16,18)/t10-/m1/s1
InChIKeyZRIKOMLRPHDSKE-SNVBAGLBSA-N
MW279.34 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate (PubChem CID 90091076) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
PubChem CID90091076
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Nametert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccccc1C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(16-14(18)20-15(2,3)4)13(17)11-8-6-7-9-12(11)19-5/h6-10H,1-5H3,(H,16,18)/t10-/m1/s1
InChIKeyZRIKOMLRPHDSKE-SNVBAGLBSA-N
XLogP2.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate (CID 90091076) is tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate is COc1ccccc1C(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate?
The InChIKey is ZRIKOMLRPHDSKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(16-14(18)20-15(2,3)4)13(17)11-8-6-7-9-12(11)19-5/h6-10H,1-5H3,(H,16,18)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-(2-methoxyphenyl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 90091076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).