tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid

C9H24N4O12S — CID 21441171

IUPACtris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
SMILESCC(N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H7NO2.3C2H5NO2.H2O4S/c1-2(4)3(5)6;3*3-1-2(4)5;1-5(2,3)4/h2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5);(H2,1,2,3,4)
InChIKeyOXECHQDHSKTCPV-UHFFFAOYSA-N
MW412.37 g/mol
LogP-4.15
Rot. Bonds4

About tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid

tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid (PubChem CID 21441171) has the molecular formula C9H24N4O12S and a molecular weight of 412.37 g/mol. Its IUPAC name is tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid.

Molecular Properties

Compound Nametris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
PubChem CID21441171
Molecular FormulaC9H24N4O12S
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Nametris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid
SMILESCC(N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H7NO2.3C2H5NO2.H2O4S/c1-2(4)3(5)6;3*3-1-2(4)5;1-5(2,3)4/h2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5);(H2,1,2,3,4)
InChIKeyOXECHQDHSKTCPV-UHFFFAOYSA-N
XLogP-4.15
TPSA327.88 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.37
LogP ≤ 5-4.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid 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

(2S)-2-aminopropanoic acid;sulfuric acid
CID 56932726
2-aminoacetic acid;iron;sulfuric acid
CID 87224971
2-aminoacetic acid;azane;sulfuric acid
CID 173374515
2-aminoacetic acid;copper;sulfuric acid;hydrochloride
CID 174826155
tetrakis(2-aminoacetic acid);(2S)-2-amino-4-methylpentanoic acid;bis((2S)-2-aminopropanoic acid)
CID 23551161
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
2-aminoacetic acid;2-amino-3-methylpentanoic acid;2-aminopropanoic acid
CID 18783681
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334

Frequently Asked Questions

What is the IUPAC name of tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid?
The IUPAC name of tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid (CID 21441171) is tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid.
What is the SMILES notation for tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid?
The canonical SMILES for tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid is CC(N)C(=O)O.NCC(=O)O.NCC(=O)O.NCC(=O)O.O=S(=O)(O)O.
What is the InChIKey of tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid?
The InChIKey is OXECHQDHSKTCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.3C2H5NO2.H2O4S/c1-2(4)3(5)6;3*3-1-2(4)5;1-5(2,3)4/h2H,4H2,1H3,(H,5,6);3*1,3H2,(H,4,5);(H2,1,2,3,4).
What are the key properties of tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid?
tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid has a molecular weight of 412.37 g/mol, XLogP of -4.15, 4 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-aminoacetic acid);2-aminopropanoic acid;sulfuric acid is sourced from PubChem (CID 21441171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).