benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate

C16H22N2O5 — CID 3244524

IUPACbenzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-9-13(19)17-10-14(20)22-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyFKEAJLRIFQDSPY-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.37
Rot. Bonds6

About benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate

benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate (PubChem CID 3244524) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
PubChem CID3244524
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namebenzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
SMILESCC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-9-13(19)17-10-14(20)22-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyFKEAJLRIFQDSPY-UHFFFAOYSA-N
XLogP1.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate (CID 3244524) is benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate is CC(C)(C)OC(=O)NCC(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
The InChIKey is FKEAJLRIFQDSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-16(2,3)23-15(21)18-9-13(19)17-10-14(20)22-11-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate has a molecular weight of 322.36 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate is sourced from PubChem (CID 3244524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).