2-(sulfamoylamino)propanoic acid

C3H8N2O4S — CID 24711588

IUPAC2-(sulfamoylamino)propanoic acid
SMILESCC(NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C3H8N2O4S/c1-2(3(6)7)5-10(4,8)9/h2,5H,1H3,(H,6,7)(H2,4,8,9)
InChIKeyWYKYVHSZUSSVGF-UHFFFAOYSA-N
MW168.17 g/mol
LogP-1.75
Rot. Bonds3

About 2-(sulfamoylamino)propanoic acid

2-(sulfamoylamino)propanoic acid (PubChem CID 24711588) has the molecular formula C3H8N2O4S and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(sulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(sulfamoylamino)propanoic acid
PubChem CID24711588
Molecular FormulaC3H8N2O4S
Molecular Weight168.17 g/mol
Exact Mass168.02
IUPAC Name2-(sulfamoylamino)propanoic acid
SMILESCC(NS(N)(=O)=O)C(=O)O
InChIInChI=1S/C3H8N2O4S/c1-2(3(6)7)5-10(4,8)9/h2,5H,1H3,(H,6,7)(H2,4,8,9)
InChIKeyWYKYVHSZUSSVGF-UHFFFAOYSA-N
XLogP-1.75
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-alaninium
CID 449619
2-Methanesulfonamidopropanoic acid
CID 13443844
2-[(Methylsulfamoyl)amino]acetic acid
CID 60066138
(2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
CID 28207331
Poly(alanylglycine)
CID 168733
Alanine-water
CID 71359202
Alaninium
CID 5237251
(2R)-3-methyl-2-(sulfamoylamino)butanoic acid
CID 28207329
N-(Methylsulfonyl)-L-alanine
CID 7446978
d-Ala.d-ala
CID 18611140
Thiodialanine
CID 21076480
Sulfino-l-alanine
CID 22301018

Frequently Asked Questions

What is the IUPAC name of 2-(sulfamoylamino)propanoic acid?
The IUPAC name of 2-(sulfamoylamino)propanoic acid (CID 24711588) is 2-(sulfamoylamino)propanoic acid.
What is the SMILES notation for 2-(sulfamoylamino)propanoic acid?
The canonical SMILES for 2-(sulfamoylamino)propanoic acid is CC(NS(N)(=O)=O)C(=O)O.
What is the InChIKey of 2-(sulfamoylamino)propanoic acid?
The InChIKey is WYKYVHSZUSSVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O4S/c1-2(3(6)7)5-10(4,8)9/h2,5H,1H3,(H,6,7)(H2,4,8,9).
What are the key properties of 2-(sulfamoylamino)propanoic acid?
2-(sulfamoylamino)propanoic acid has a molecular weight of 168.17 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfamoylamino)propanoic acid is sourced from PubChem (CID 24711588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).