(2-amino-3-oxobutanoyl)sulfamic acid

C4H8N2O5S — CID 88601839

IUPAC(2-amino-3-oxobutanoyl)sulfamic acid
SMILESCC(=O)C(N)C(=O)NS(=O)(=O)O
InChIInChI=1S/C4H8N2O5S/c1-2(7)3(5)4(8)6-12(9,10)11/h3H,5H2,1H3,(H,6,8)(H,9,10,11)
InChIKeyYXMDEUOTPSITCM-UHFFFAOYSA-N
MW196.18 g/mol
LogP-2.18
Rot. Bonds3

About (2-amino-3-oxobutanoyl)sulfamic acid

(2-amino-3-oxobutanoyl)sulfamic acid (PubChem CID 88601839) has the molecular formula C4H8N2O5S and a molecular weight of 196.18 g/mol. Its IUPAC name is (2-amino-3-oxobutanoyl)sulfamic acid.

Molecular Properties

Compound Name(2-amino-3-oxobutanoyl)sulfamic acid
PubChem CID88601839
Molecular FormulaC4H8N2O5S
Molecular Weight196.18 g/mol
Exact Mass196.02
IUPAC Name(2-amino-3-oxobutanoyl)sulfamic acid
SMILESCC(=O)C(N)C(=O)NS(=O)(=O)O
InChIInChI=1S/C4H8N2O5S/c1-2(7)3(5)4(8)6-12(9,10)11/h3H,5H2,1H3,(H,6,8)(H,9,10,11)
InChIKeyYXMDEUOTPSITCM-UHFFFAOYSA-N
XLogP-2.18
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-3-oxobutanoate
CID 20728075
1-aminoethylsulfamic acid
CID 22145165
(2-ethyl-4-methoxypentanoyl)sulfamic acid
CID 58965851
1,1-diaminopropan-2-one;dihydrochloride
CID 21126739
3-amino-4-hydroxypent-4-en-2-one;hydrochloride
CID 171991279
carbonofluoridoylsulfamic acid
CID 176893814
2-aminobutanedioic acid;methanesulfonic acid
CID 87903305
methanesulfonic acid;sulfur monoxide
CID 174707848
3-amino-4-iminopentan-2-one
CID 143689653
2-amino-N-methylsulfonylbutanamide
CID 103287489
(2S)-2-aminopropanoic acid;sulfuric acid
CID 56932726
1,2,2-trifluoroethenylsulfamic acid
CID 147457738

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-oxobutanoyl)sulfamic acid?
The IUPAC name of (2-amino-3-oxobutanoyl)sulfamic acid (CID 88601839) is (2-amino-3-oxobutanoyl)sulfamic acid.
What is the SMILES notation for (2-amino-3-oxobutanoyl)sulfamic acid?
The canonical SMILES for (2-amino-3-oxobutanoyl)sulfamic acid is CC(=O)C(N)C(=O)NS(=O)(=O)O.
What is the InChIKey of (2-amino-3-oxobutanoyl)sulfamic acid?
The InChIKey is YXMDEUOTPSITCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O5S/c1-2(7)3(5)4(8)6-12(9,10)11/h3H,5H2,1H3,(H,6,8)(H,9,10,11).
What are the key properties of (2-amino-3-oxobutanoyl)sulfamic acid?
(2-amino-3-oxobutanoyl)sulfamic acid has a molecular weight of 196.18 g/mol, XLogP of -2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-oxobutanoyl)sulfamic acid is sourced from PubChem (CID 88601839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).