3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid

C13H20N2O6S — CID 119190573

IUPAC3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1oc(C(=O)N(CCC(=O)O)CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O6S/c1-8(2)7-15(5-4-12(16)17)13(18)10-6-11(9(3)21-10)22(14,19)20/h6,8H,4-5,7H2,1-3H3,(H,16,17)(H2,14,19,20)
InChIKeyFINJACYUDLOBAZ-UHFFFAOYSA-N
MW332.38 g/mol
LogP0.81
Rot. Bonds7

About 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid

3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid (PubChem CID 119190573) has the molecular formula C13H20N2O6S and a molecular weight of 332.38 g/mol. Its IUPAC name is 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
PubChem CID119190573
Molecular FormulaC13H20N2O6S
Molecular Weight332.38 g/mol
Exact Mass332.10
IUPAC Name3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
SMILESCc1oc(C(=O)N(CCC(=O)O)CC(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O6S/c1-8(2)7-15(5-4-12(16)17)13(18)10-6-11(9(3)21-10)22(14,19)20/h6,8H,4-5,7H2,1-3H3,(H,16,17)(H2,14,19,20)
InChIKeyFINJACYUDLOBAZ-UHFFFAOYSA-N
XLogP0.81
TPSA130.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid
CID 119228618
N-butan-2-yl-N-ethyl-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 65387385
3-[(5-chlorofuran-2-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 75418009
5-methyl-N-[2-(3-methylbutoxy)ethyl]-4-sulfamoylfuran-2-carboxamide
CID 65387670
N-cyclopropyl-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65374093
3-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190582
N-(1-amino-2,3-dimethylbutan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide
CID 119609057
N-(cyclopropylmethyl)-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65386276
N-(1-amino-4-methylpentan-2-yl)-5-methyl-4-sulfamoylfuran-2-carboxamide;hydrochloride
CID 119588835
3-[(2-chloro-4,5-dimethylbenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 120516410
2-methyl-5-[[methyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119222556
3-[3-(3-methylphenyl)propanoyl-(2-methylpropyl)amino]propanoic acid
CID 119190391

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid (CID 119190573) is 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid is Cc1oc(C(=O)N(CCC(=O)O)CC(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
The InChIKey is FINJACYUDLOBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6S/c1-8(2)7-15(5-4-12(16)17)13(18)10-6-11(9(3)21-10)22(14,19)20/h6,8H,4-5,7H2,1-3H3,(H,16,17)(H2,14,19,20).
What are the key properties of 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid?
3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid has a molecular weight of 332.38 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl-(5-methyl-4-sulfamoylfuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119190573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).