3-methoxy-4-(sulfamoylamino)butanoic acid

C5H12N2O5S — CID 103153567

IUPAC3-methoxy-4-(sulfamoylamino)butanoic acid
SMILESCOC(CNS(N)(=O)=O)CC(=O)O
InChIInChI=1S/C5H12N2O5S/c1-12-4(2-5(8)9)3-7-13(6,10)11/h4,7H,2-3H2,1H3,(H,8,9)(H2,6,10,11)
InChIKeySNLPQURLDADLDQ-UHFFFAOYSA-N
MW212.23 g/mol
LogP-1.73
Rot. Bonds6

About 3-methoxy-4-(sulfamoylamino)butanoic acid

3-methoxy-4-(sulfamoylamino)butanoic acid (PubChem CID 103153567) has the molecular formula C5H12N2O5S and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-methoxy-4-(sulfamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-(sulfamoylamino)butanoic acid
PubChem CID103153567
Molecular FormulaC5H12N2O5S
Molecular Weight212.23 g/mol
Exact Mass212.05
IUPAC Name3-methoxy-4-(sulfamoylamino)butanoic acid
SMILESCOC(CNS(N)(=O)=O)CC(=O)O
InChIInChI=1S/C5H12N2O5S/c1-12-4(2-5(8)9)3-7-13(6,10)11/h4,7H,2-3H2,1H3,(H,8,9)(H2,6,10,11)
InChIKeySNLPQURLDADLDQ-UHFFFAOYSA-N
XLogP-1.73
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-(methylsulfamoylamino)butanoic acid
CID 103153444
4-(ethylsulfamoylamino)-3-methoxybutanoic acid
CID 103153439
3-methoxy-4-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 103153466
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918
5-methyl-3-[(sulfamoylamino)methyl]hexanoic acid
CID 114958931
3-methoxy-4-[(2-methylsulfonylacetyl)amino]butanoic acid
CID 103153072
4-[(1,1-dioxothian-4-yl)sulfonylamino]-3-methoxybutanoic acid
CID 103153587
3-methoxy-4-[(4-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 103153472
4-(4-aminopentanoylamino)-3-methoxybutanoic acid
CID 103157265
methyl 2-amino-3-(sulfamoylamino)propanoate
CID 117275888
4-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153584
3-methoxy-4-(pentan-3-ylcarbamoylamino)butanoic acid
CID 103158242

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(sulfamoylamino)butanoic acid?
The IUPAC name of 3-methoxy-4-(sulfamoylamino)butanoic acid (CID 103153567) is 3-methoxy-4-(sulfamoylamino)butanoic acid.
What is the SMILES notation for 3-methoxy-4-(sulfamoylamino)butanoic acid?
The canonical SMILES for 3-methoxy-4-(sulfamoylamino)butanoic acid is COC(CNS(N)(=O)=O)CC(=O)O.
What is the InChIKey of 3-methoxy-4-(sulfamoylamino)butanoic acid?
The InChIKey is SNLPQURLDADLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O5S/c1-12-4(2-5(8)9)3-7-13(6,10)11/h4,7H,2-3H2,1H3,(H,8,9)(H2,6,10,11).
What are the key properties of 3-methoxy-4-(sulfamoylamino)butanoic acid?
3-methoxy-4-(sulfamoylamino)butanoic acid has a molecular weight of 212.23 g/mol, XLogP of -1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(sulfamoylamino)butanoic acid is sourced from PubChem (CID 103153567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).