methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

C15H21NO4 — CID 25265873

IUPACmethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(11-13(17)19-4)10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyGAMKCTFRALLLQT-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds4

About methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 25265873) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID25265873
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(11-13(17)19-4)10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyGAMKCTFRALLLQT-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 25265873) is methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is GAMKCTFRALLLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(11-13(17)19-4)10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate has a molecular weight of 279.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 25265873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).