(2S)-2-amino-4-(sulfamoylamino)butanoic acid

C4H11N3O4S — CID 87289524

IUPAC(2S)-2-amino-4-(sulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(N)(=O)=O)C(=O)O
InChIInChI=1S/C4H11N3O4S/c5-3(4(8)9)1-2-7-12(6,10)11/h3,7H,1-2,5H2,(H,8,9)(H2,6,10,11)/t3-/m0/s1
InChIKeyUMWXLQJRYFFXMV-VKHMYHEASA-N
MW197.22 g/mol
LogP-2.42
Rot. Bonds5

About (2S)-2-amino-4-(sulfamoylamino)butanoic acid

(2S)-2-amino-4-(sulfamoylamino)butanoic acid (PubChem CID 87289524) has the molecular formula C4H11N3O4S and a molecular weight of 197.22 g/mol. Its IUPAC name is (2S)-2-amino-4-(sulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(sulfamoylamino)butanoic acid
PubChem CID87289524
Molecular FormulaC4H11N3O4S
Molecular Weight197.22 g/mol
Exact Mass197.05
IUPAC Name(2S)-2-amino-4-(sulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(N)(=O)=O)C(=O)O
InChIInChI=1S/C4H11N3O4S/c5-3(4(8)9)1-2-7-12(6,10)11/h3,7H,1-2,5H2,(H,8,9)(H2,6,10,11)/t3-/m0/s1
InChIKeyUMWXLQJRYFFXMV-VKHMYHEASA-N
XLogP-2.42
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(sulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(sulfamoylamino)butanoic acid (CID 87289524) is (2S)-2-amino-4-(sulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(sulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(sulfamoylamino)butanoic acid is N[C@@H](CCNS(N)(=O)=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(sulfamoylamino)butanoic acid?
The InChIKey is UMWXLQJRYFFXMV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H11N3O4S/c5-3(4(8)9)1-2-7-12(6,10)11/h3,7H,1-2,5H2,(H,8,9)(H2,6,10,11)/t3-/m0/s1.
What are the key properties of (2S)-2-amino-4-(sulfamoylamino)butanoic acid?
(2S)-2-amino-4-(sulfamoylamino)butanoic acid has a molecular weight of 197.22 g/mol, XLogP of -2.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(sulfamoylamino)butanoic acid is sourced from PubChem (CID 87289524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).