acetic acid;(2-aminoacetyl) 2-aminoacetate

C6H12N2O5 — CID 174797660

IUPACacetic acid;(2-aminoacetyl) 2-aminoacetate
SMILESCC(=O)O.NCC(=O)OC(=O)CN
InChIInChI=1S/C4H8N2O3.C2H4O2/c5-1-3(7)9-4(8)2-6;1-2(3)4/h1-2,5-6H2;1H3,(H,3,4)
InChIKeyKBSPASZJEALCGX-UHFFFAOYSA-N
MW192.17 g/mol
LogP-1.94
Rot. Bonds2

About acetic acid;(2-aminoacetyl) 2-aminoacetate

acetic acid;(2-aminoacetyl) 2-aminoacetate (PubChem CID 174797660) has the molecular formula C6H12N2O5 and a molecular weight of 192.17 g/mol. Its IUPAC name is acetic acid;(2-aminoacetyl) 2-aminoacetate.

Molecular Properties

Compound Nameacetic acid;(2-aminoacetyl) 2-aminoacetate
PubChem CID174797660
Molecular FormulaC6H12N2O5
Molecular Weight192.17 g/mol
Exact Mass192.07
IUPAC Nameacetic acid;(2-aminoacetyl) 2-aminoacetate
SMILESCC(=O)O.NCC(=O)OC(=O)CN
InChIInChI=1S/C4H8N2O3.C2H4O2/c5-1-3(7)9-4(8)2-6;1-2(3)4/h1-2,5-6H2;1H3,(H,3,4)
InChIKeyKBSPASZJEALCGX-UHFFFAOYSA-N
XLogP-1.94
TPSA132.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;acetyl 2-aminoacetate
CID 88749105
acetyl 2-aminoacetate
CID 13153876
acetic acid;ethyl 2-aminoacetate;hydrochloride
CID 172784195
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
bis(2-aminoacetyl) oxalate
CID 88769554
acetic acid;methanediamine
CID 162329452
acetic acid;2-aminoacetic acid;azane
CID 175048501
9-(2-aminoacetyl)oxy-9-oxononanoic acid
CID 174767814
(2-aminoacetyl) 5-amino-4-oxopentanoate
CID 87872169
(2-aminoacetyl) 2-hydroxypropanoate
CID 87499262
3-oxobutanoyl 3-oxobutanoate
CID 18751461
(2-aminoacetyl) 2-hydroxypropanoate;copper
CID 87635817

Frequently Asked Questions

What is the IUPAC name of acetic acid;(2-aminoacetyl) 2-aminoacetate?
The IUPAC name of acetic acid;(2-aminoacetyl) 2-aminoacetate (CID 174797660) is acetic acid;(2-aminoacetyl) 2-aminoacetate.
What is the SMILES notation for acetic acid;(2-aminoacetyl) 2-aminoacetate?
The canonical SMILES for acetic acid;(2-aminoacetyl) 2-aminoacetate is CC(=O)O.NCC(=O)OC(=O)CN.
What is the InChIKey of acetic acid;(2-aminoacetyl) 2-aminoacetate?
The InChIKey is KBSPASZJEALCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C2H4O2/c5-1-3(7)9-4(8)2-6;1-2(3)4/h1-2,5-6H2;1H3,(H,3,4).
What are the key properties of acetic acid;(2-aminoacetyl) 2-aminoacetate?
acetic acid;(2-aminoacetyl) 2-aminoacetate has a molecular weight of 192.17 g/mol, XLogP of -1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(2-aminoacetyl) 2-aminoacetate is sourced from PubChem (CID 174797660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).