2-(sulfamoylamino)butanedioic acid

C4H8N2O6S — CID 114958995

IUPAC2-(sulfamoylamino)butanedioic acid
SMILESNS(=O)(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O6S/c5-13(11,12)6-2(4(9)10)1-3(7)8/h2,6H,1H2,(H,7,8)(H,9,10)(H2,5,11,12)
InChIKeyNBAKMBXAZJJRET-UHFFFAOYSA-N
MW212.18 g/mol
LogP-2.29
Rot. Bonds5

About 2-(sulfamoylamino)butanedioic acid

2-(sulfamoylamino)butanedioic acid (PubChem CID 114958995) has the molecular formula C4H8N2O6S and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-(sulfamoylamino)butanedioic acid.

Molecular Properties

Compound Name2-(sulfamoylamino)butanedioic acid
PubChem CID114958995
Molecular FormulaC4H8N2O6S
Molecular Weight212.18 g/mol
Exact Mass212.01
IUPAC Name2-(sulfamoylamino)butanedioic acid
SMILESNS(=O)(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C4H8N2O6S/c5-13(11,12)6-2(4(9)10)1-3(7)8/h2,6H,1H2,(H,7,8)(H,9,10)(H2,5,11,12)
InChIKeyNBAKMBXAZJJRET-UHFFFAOYSA-N
XLogP-2.29
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-2.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(sulfamoylamino)butanedioic 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-(ethylsulfonylamino)butanedioic acid
CID 87146468
(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
CID 104977979
2-[(4-aminophenyl)sulfonylamino]butanedioic acid
CID 71945726
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
(2S)-5-(diaminomethylideneamino)-2-(sulfamoylamino)pentanoic acid
CID 71660635
2-[[(1R)-3-amino-1-carboxy-3-oxopropyl]amino]butanedioic acid
CID 132518593
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
(2S)-2-[(2,4,6-trichlorophenyl)sulfonylamino]butanedioic acid
CID 112733165
(2S)-2-[(2-amino-3-carboxypropanoyl)amino]butanedioic acid
CID 87433801
(2S)-2-(2-aminoethylamino)butanedioic acid;hydrochloride
CID 171935544
2-[(2-chlorophenyl)sulfonylamino]butanedioic acid
CID 71628754
2-[(2-fluorophenyl)sulfonylamino]butanedioic acid
CID 71628755

Frequently Asked Questions

What is the IUPAC name of 2-(sulfamoylamino)butanedioic acid?
The IUPAC name of 2-(sulfamoylamino)butanedioic acid (CID 114958995) is 2-(sulfamoylamino)butanedioic acid.
What is the SMILES notation for 2-(sulfamoylamino)butanedioic acid?
The canonical SMILES for 2-(sulfamoylamino)butanedioic acid is NS(=O)(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(sulfamoylamino)butanedioic acid?
The InChIKey is NBAKMBXAZJJRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O6S/c5-13(11,12)6-2(4(9)10)1-3(7)8/h2,6H,1H2,(H,7,8)(H,9,10)(H2,5,11,12).
What are the key properties of 2-(sulfamoylamino)butanedioic acid?
2-(sulfamoylamino)butanedioic acid has a molecular weight of 212.18 g/mol, XLogP of -2.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfamoylamino)butanedioic acid is sourced from PubChem (CID 114958995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).