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

C15H21NO4 — CID 22623801

IUPACbenzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCN(CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(4)10-13(17)19-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyKWBVWKFIEDRABO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds4

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

benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (PubChem CID 22623801) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
PubChem CID22623801
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
SMILESCN(CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(4)10-13(17)19-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
InChIKeyKWBVWKFIEDRABO-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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Related Compounds

benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-propanoylamino]acetate
CID 163815010
benzyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetate
CID 58672505
2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxo-4-phenylmethoxybutanoic acid
CID 11101928
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl 2-[2-methylpent-4-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 146628905
benzyl 4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyloxy]butanoate
CID 160546469
methyl 2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetate
CID 177128218
tert-butyl (2R)-1-[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]-2-phenylpyrrolidine-2-carboxylate
CID 22847884
benzyl 4-[(2S)-4-methyl-2-[2-[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetyl]oxypentanoyl]piperazine-1-carboxylate
CID 58010940
benzyl 2-[[methyl-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamoyl]amino]-3-phenylpropanoate
CID 18988027
tert-butyl N-methyl-N-[2-[methyl-[(2S)-2-methyl-4-phenylmethoxypent-4-enoyl]amino]ethyl]carbamate
CID 163823018

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The IUPAC name of benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate (CID 22623801) is benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate.
What is the SMILES notation for benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The canonical SMILES for benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is CN(CC(=O)OCc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
The InChIKey is KWBVWKFIEDRABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16(4)10-13(17)19-11-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3.
What are the key properties of benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate?
benzyl 2-[methyl-[(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 benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate is sourced from PubChem (CID 22623801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).