(2-aminoacetyl)oxycarbonyl 2-aminoacetate

C5H8N2O5 — CID 57200330

IUPAC(2-aminoacetyl)oxycarbonyl 2-aminoacetate
SMILESNCC(=O)OC(=O)OC(=O)CN
InChIInChI=1S/C5H8N2O5/c6-1-3(8)11-5(10)12-4(9)2-7/h1-2,6-7H2
InChIKeyXAZAYWJNYWFXQH-UHFFFAOYSA-N
MW176.13 g/mol
LogP-1.89
Rot. Bonds2

About (2-aminoacetyl)oxycarbonyl 2-aminoacetate

(2-aminoacetyl)oxycarbonyl 2-aminoacetate (PubChem CID 57200330) has the molecular formula C5H8N2O5 and a molecular weight of 176.13 g/mol. Its IUPAC name is (2-aminoacetyl)oxycarbonyl 2-aminoacetate.

Molecular Properties

Compound Name(2-aminoacetyl)oxycarbonyl 2-aminoacetate
PubChem CID57200330
Molecular FormulaC5H8N2O5
Molecular Weight176.13 g/mol
Exact Mass176.04
IUPAC Name(2-aminoacetyl)oxycarbonyl 2-aminoacetate
SMILESNCC(=O)OC(=O)OC(=O)CN
InChIInChI=1S/C5H8N2O5/c6-1-3(8)11-5(10)12-4(9)2-7/h1-2,6-7H2
InChIKeyXAZAYWJNYWFXQH-UHFFFAOYSA-N
XLogP-1.89
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2-aminoacetyl)oxycarbonyl 2-aminoacetate 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

CID 174755029
CID 174755029
bis(2-aminoacetyl) oxalate
CID 88769554
acetic acid;(2-aminoacetyl) 2-aminoacetate
CID 174797660
acetyl 2-aminoacetate
CID 13153876
acetic acid;acetyl 2-aminoacetate
CID 88749105
(2-aminoacetyl) 5-amino-4-oxopentanoate
CID 87872169
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817
(2-aminoacetyl) 2,3-dihydroxypropanoate
CID 163363613
nitro 2-aminoacetate;ruthenium
CID 175369443
CID 18415084
CID 18415084
amino 2-aminoacetate;zinc
CID 87197519

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl)oxycarbonyl 2-aminoacetate?
The IUPAC name of (2-aminoacetyl)oxycarbonyl 2-aminoacetate (CID 57200330) is (2-aminoacetyl)oxycarbonyl 2-aminoacetate.
What is the SMILES notation for (2-aminoacetyl)oxycarbonyl 2-aminoacetate?
The canonical SMILES for (2-aminoacetyl)oxycarbonyl 2-aminoacetate is NCC(=O)OC(=O)OC(=O)CN.
What is the InChIKey of (2-aminoacetyl)oxycarbonyl 2-aminoacetate?
The InChIKey is XAZAYWJNYWFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O5/c6-1-3(8)11-5(10)12-4(9)2-7/h1-2,6-7H2.
What are the key properties of (2-aminoacetyl)oxycarbonyl 2-aminoacetate?
(2-aminoacetyl)oxycarbonyl 2-aminoacetate has a molecular weight of 176.13 g/mol, XLogP of -1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl)oxycarbonyl 2-aminoacetate is sourced from PubChem (CID 57200330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).