acetic acid;2,2-diaminoacetic acid

C6H14N2O6 — CID 129094898

IUPACacetic acid;2,2-diaminoacetic acid
SMILESCC(=O)O.CC(=O)O.NC(N)C(=O)O
InChIInChI=1S/C2H6N2O2.2C2H4O2/c3-1(4)2(5)6;2*1-2(3)4/h1H,3-4H2,(H,5,6);2*1H3,(H,3,4)
InChIKeyPRAKSJOEAUHUNO-UHFFFAOYSA-N
MW210.19 g/mol
LogP-1.50
Rot. Bonds1

About acetic acid;2,2-diaminoacetic acid

acetic acid;2,2-diaminoacetic acid (PubChem CID 129094898) has the molecular formula C6H14N2O6 and a molecular weight of 210.19 g/mol. Its IUPAC name is acetic acid;2,2-diaminoacetic acid.

Molecular Properties

Compound Nameacetic acid;2,2-diaminoacetic acid
PubChem CID129094898
Molecular FormulaC6H14N2O6
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Nameacetic acid;2,2-diaminoacetic acid
SMILESCC(=O)O.CC(=O)O.NC(N)C(=O)O
InChIInChI=1S/C2H6N2O2.2C2H4O2/c3-1(4)2(5)6;2*1-2(3)4/h1H,3-4H2,(H,5,6);2*1H3,(H,3,4)
InChIKeyPRAKSJOEAUHUNO-UHFFFAOYSA-N
XLogP-1.50
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
acetic acid;ethane-1,1-diamine
CID 157325550
acetic acid;2-aminopropanoic acid;azane
CID 175391326
acetic acid;1-aminoethanol
CID 87647185
acetic acid;methyl 2,2-diaminoacetate
CID 175261115
acetic acid
CID 158444727
1,1-diaminopropan-2-one;dihydrochloride
CID 21126739
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-diaminoacetic acid?
The IUPAC name of acetic acid;2,2-diaminoacetic acid (CID 129094898) is acetic acid;2,2-diaminoacetic acid.
What is the SMILES notation for acetic acid;2,2-diaminoacetic acid?
The canonical SMILES for acetic acid;2,2-diaminoacetic acid is CC(=O)O.CC(=O)O.NC(N)C(=O)O.
What is the InChIKey of acetic acid;2,2-diaminoacetic acid?
The InChIKey is PRAKSJOEAUHUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2.2C2H4O2/c3-1(4)2(5)6;2*1-2(3)4/h1H,3-4H2,(H,5,6);2*1H3,(H,3,4).
What are the key properties of acetic acid;2,2-diaminoacetic acid?
acetic acid;2,2-diaminoacetic acid has a molecular weight of 210.19 g/mol, XLogP of -1.50, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-diaminoacetic acid is sourced from PubChem (CID 129094898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).