2-(carboxyamino)acetic acid;sulfuric acid

C3H7NO8S — CID 87228691

IUPAC2-(carboxyamino)acetic acid;sulfuric acid
SMILESO=C(O)CNC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H5NO4.H2O4S/c5-2(6)1-4-3(7)8;1-5(2,3)4/h4H,1H2,(H,5,6)(H,7,8);(H2,1,2,3,4)
InChIKeyBUIOAOVKOBZJBU-UHFFFAOYSA-N
MW217.15 g/mol
LogP-1.31
Rot. Bonds2

About 2-(carboxyamino)acetic acid;sulfuric acid

2-(carboxyamino)acetic acid;sulfuric acid (PubChem CID 87228691) has the molecular formula C3H7NO8S and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-(carboxyamino)acetic acid;sulfuric acid.

Molecular Properties

Compound Name2-(carboxyamino)acetic acid;sulfuric acid
PubChem CID87228691
Molecular FormulaC3H7NO8S
Molecular Weight217.15 g/mol
Exact Mass216.99
IUPAC Name2-(carboxyamino)acetic acid;sulfuric acid
SMILESO=C(O)CNC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H5NO4.H2O4S/c5-2(6)1-4-3(7)8;1-5(2,3)4/h4H,1H2,(H,5,6)(H,7,8);(H2,1,2,3,4)
InChIKeyBUIOAOVKOBZJBU-UHFFFAOYSA-N
XLogP-1.31
TPSA161.23 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 5-1.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(carboxyamino)acetic 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

2-(3-sulfopropanethioylamino)acetic acid
CID 88674574
2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid
CID 90757657
2-(2-sulfohydrazinyl)acetic acid
CID 141291172
2-[2-(carboxyamino)ethylamino]acetic acid
CID 130335406
2-(carboxyamino)ethanesulfonic acid
CID 22476560
2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
2-(carbamoylamino)acetic acid
CID 87288569
butanedioic acid;sulfane;sulfuric acid
CID 172824960
3-amino-3-oxopropanoic acid;sulfuric acid
CID 71430427
sodium 2-(carboxyamino)acetate
CID 58758121
2-(sulfomethylsulfonylamino)acetic acid
CID 175277486
2-[(2-tert-butylsulfonylacetyl)amino]acetic acid
CID 120513598

Frequently Asked Questions

What is the IUPAC name of 2-(carboxyamino)acetic acid;sulfuric acid?
The IUPAC name of 2-(carboxyamino)acetic acid;sulfuric acid (CID 87228691) is 2-(carboxyamino)acetic acid;sulfuric acid.
What is the SMILES notation for 2-(carboxyamino)acetic acid;sulfuric acid?
The canonical SMILES for 2-(carboxyamino)acetic acid;sulfuric acid is O=C(O)CNC(=O)O.O=S(=O)(O)O.
What is the InChIKey of 2-(carboxyamino)acetic acid;sulfuric acid?
The InChIKey is BUIOAOVKOBZJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO4.H2O4S/c5-2(6)1-4-3(7)8;1-5(2,3)4/h4H,1H2,(H,5,6)(H,7,8);(H2,1,2,3,4).
What are the key properties of 2-(carboxyamino)acetic acid;sulfuric acid?
2-(carboxyamino)acetic acid;sulfuric acid has a molecular weight of 217.15 g/mol, XLogP of -1.31, 2 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxyamino)acetic acid;sulfuric acid is sourced from PubChem (CID 87228691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).