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

C10H18N2O5 — CID 637608

IUPACmethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-5-7(13)11-6-8(14)16-4/h5-6H2,1-4H3,(H,11,13)(H,12,15)
InChIKeyIAORBGFPSXLQRU-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.20
Rot. Bonds4

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

methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate (PubChem CID 637608) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
PubChem CID637608
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Namemethyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-5-7(13)11-6-8(14)16-4/h5-6H2,1-4H3,(H,11,13)(H,12,15)
InChIKeyIAORBGFPSXLQRU-UHFFFAOYSA-N
XLogP-0.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 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 methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate (CID 637608) is methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
The InChIKey is IAORBGFPSXLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,3)17-9(15)12-5-7(13)11-6-8(14)16-4/h5-6H2,1-4H3,(H,11,13)(H,12,15).
What are the key properties of methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate?
methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate has a molecular weight of 246.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetate is sourced from PubChem (CID 637608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).