tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate

C11H22N4O5 — CID 174997154

IUPACtert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate
SMILESCCON(NC(=O)CNC(=O)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O5/c1-5-19-15(10(18)20-11(2,3)4)14-9(17)7-13-8(16)6-12/h5-7,12H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyRXIVODMJELTHQC-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.72
Rot. Bonds5

About tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate

tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate (PubChem CID 174997154) has the molecular formula C11H22N4O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate
PubChem CID174997154
Molecular FormulaC11H22N4O5
Molecular Weight290.32 g/mol
Exact Mass290.16
IUPAC Nametert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate
SMILESCCON(NC(=O)CNC(=O)CN)C(=O)OC(C)(C)C
InChIInChI=1S/C11H22N4O5/c1-5-19-15(10(18)20-11(2,3)4)14-9(17)7-13-8(16)6-12/h5-7,12H2,1-4H3,(H,13,16)(H,14,17)
InChIKeyRXIVODMJELTHQC-UHFFFAOYSA-N
XLogP-0.72
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
ethyl 2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoylamino]acetate
CID 19753809
tert-butyl N-[3-[(2-aminoacetyl)amino]propyl]carbamate
CID 23591745
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
2-amino-N-[2-[3-[(2-methylpropan-2-yl)oxy]propylamino]-2-oxoethyl]acetamide
CID 147267401
2-amino-N-[2-(2-ethoxyethylamino)-2-oxoethyl]acetamide
CID 60846761
methyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-methylpropanoate
CID 60851549
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N-(ethoxycarbonylamino)-N-(methoxycarbonylamino)carbamate
CID 151133145
tert-butyl N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]carbamate
CID 14236095

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate?
The IUPAC name of tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate (CID 174997154) is tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate.
What is the SMILES notation for tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate?
The canonical SMILES for tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate is CCON(NC(=O)CNC(=O)CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate?
The InChIKey is RXIVODMJELTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O5/c1-5-19-15(10(18)20-11(2,3)4)14-9(17)7-13-8(16)6-12/h5-7,12H2,1-4H3,(H,13,16)(H,14,17).
What are the key properties of tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate?
tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate has a molecular weight of 290.32 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(2-aminoacetyl)amino]acetyl]amino]-N-ethoxycarbamate is sourced from PubChem (CID 174997154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).