3-(methoxycarbonylsulfamoylamino)propanoic acid

C5H10N2O6S — CID 114461872

IUPAC3-(methoxycarbonylsulfamoylamino)propanoic acid
SMILESCOC(=O)NS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C5H10N2O6S/c1-13-5(10)7-14(11,12)6-3-2-4(8)9/h6H,2-3H2,1H3,(H,7,10)(H,8,9)
InChIKeyAUSQSDFYMNRGSD-UHFFFAOYSA-N
MW226.21 g/mol
LogP-1.35
Rot. Bonds5

About 3-(methoxycarbonylsulfamoylamino)propanoic acid

3-(methoxycarbonylsulfamoylamino)propanoic acid (PubChem CID 114461872) has the molecular formula C5H10N2O6S and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-(methoxycarbonylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(methoxycarbonylsulfamoylamino)propanoic acid
PubChem CID114461872
Molecular FormulaC5H10N2O6S
Molecular Weight226.21 g/mol
Exact Mass226.03
IUPAC Name3-(methoxycarbonylsulfamoylamino)propanoic acid
SMILESCOC(=O)NS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C5H10N2O6S/c1-13-5(10)7-14(11,12)6-3-2-4(8)9/h6H,2-3H2,1H3,(H,7,10)(H,8,9)
InChIKeyAUSQSDFYMNRGSD-UHFFFAOYSA-N
XLogP-1.35
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxycarbonylsulfamoylamino)propanoic acid?
The IUPAC name of 3-(methoxycarbonylsulfamoylamino)propanoic acid (CID 114461872) is 3-(methoxycarbonylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-(methoxycarbonylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-(methoxycarbonylsulfamoylamino)propanoic acid is COC(=O)NS(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-(methoxycarbonylsulfamoylamino)propanoic acid?
The InChIKey is AUSQSDFYMNRGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O6S/c1-13-5(10)7-14(11,12)6-3-2-4(8)9/h6H,2-3H2,1H3,(H,7,10)(H,8,9).
What are the key properties of 3-(methoxycarbonylsulfamoylamino)propanoic acid?
3-(methoxycarbonylsulfamoylamino)propanoic acid has a molecular weight of 226.21 g/mol, XLogP of -1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxycarbonylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114461872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).