3-methoxy-2-(4-sulfamoylanilino)propanoic acid

C10H14N2O5S — CID 81079040

IUPAC3-methoxy-2-(4-sulfamoylanilino)propanoic acid
SMILESCOCC(Nc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-17-6-9(10(13)14)12-7-2-4-8(5-3-7)18(11,15)16/h2-5,9,12H,6H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyQVOJHXPLXAKDSO-UHFFFAOYSA-N
MW274.30 g/mol
LogP-0.15
Rot. Bonds6

About 3-methoxy-2-(4-sulfamoylanilino)propanoic acid

3-methoxy-2-(4-sulfamoylanilino)propanoic acid (PubChem CID 81079040) has the molecular formula C10H14N2O5S and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-methoxy-2-(4-sulfamoylanilino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-sulfamoylanilino)propanoic acid
PubChem CID81079040
Molecular FormulaC10H14N2O5S
Molecular Weight274.30 g/mol
Exact Mass274.06
IUPAC Name3-methoxy-2-(4-sulfamoylanilino)propanoic acid
SMILESCOCC(Nc1ccc(S(N)(=O)=O)cc1)C(=O)O
InChIInChI=1S/C10H14N2O5S/c1-17-6-9(10(13)14)12-7-2-4-8(5-3-7)18(11,15)16/h2-5,9,12H,6H2,1H3,(H,13,14)(H2,11,15,16)
InChIKeyQVOJHXPLXAKDSO-UHFFFAOYSA-N
XLogP-0.15
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(4-phenylanilino)propanoic acid
CID 103230384
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
3-methoxy-2-(pyridin-4-ylamino)propanoic acid
CID 81078676
2-(4-bromo-3-methoxyanilino)-3-methoxypropanoic acid
CID 103261943
3-methoxy-2-(thiophen-3-ylamino)propanoic acid
CID 103255779
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
3-methoxy-2-(4-methyl-3-nitroanilino)propanoic acid
CID 81078411
2-(3-chloro-4-methoxyanilino)-3-methoxypropanoic acid
CID 112519196
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
4-methyl-2-[(4-sulfamoylphenyl)carbamoylamino]pentanoic acid
CID 5207855
methyl 2-(4-methylsulfonylanilino)butanoate
CID 113292297

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-sulfamoylanilino)propanoic acid?
The IUPAC name of 3-methoxy-2-(4-sulfamoylanilino)propanoic acid (CID 81079040) is 3-methoxy-2-(4-sulfamoylanilino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(4-sulfamoylanilino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(4-sulfamoylanilino)propanoic acid is COCC(Nc1ccc(S(N)(=O)=O)cc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-(4-sulfamoylanilino)propanoic acid?
The InChIKey is QVOJHXPLXAKDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5S/c1-17-6-9(10(13)14)12-7-2-4-8(5-3-7)18(11,15)16/h2-5,9,12H,6H2,1H3,(H,13,14)(H2,11,15,16).
What are the key properties of 3-methoxy-2-(4-sulfamoylanilino)propanoic acid?
3-methoxy-2-(4-sulfamoylanilino)propanoic acid has a molecular weight of 274.30 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-sulfamoylanilino)propanoic acid is sourced from PubChem (CID 81079040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).