2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid

C10H15NO3S — CID 107782239

IUPAC2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid
SMILESCc1occc1SCCC(C)(N)C(=O)O
InChIInChI=1S/C10H15NO3S/c1-7-8(3-5-14-7)15-6-4-10(2,11)9(12)13/h3,5H,4,6,11H2,1-2H3,(H,12,13)
InChIKeyPFNQEIKYVIYTOX-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.87
Rot. Bonds5

About 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid

2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid (PubChem CID 107782239) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid
PubChem CID107782239
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid
SMILESCc1occc1SCCC(C)(N)C(=O)O
InChIInChI=1S/C10H15NO3S/c1-7-8(3-5-14-7)15-6-4-10(2,11)9(12)13/h3,5H,4,6,11H2,1-2H3,(H,12,13)
InChIKeyPFNQEIKYVIYTOX-UHFFFAOYSA-N
XLogP1.87
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779028
2-(methylamino)-4-(2-methylfuran-3-yl)sulfanyl-2-phenylbutanoic acid
CID 107782026
methyl 2-(cyclopropylamino)-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoate
CID 107782153
1-amino-2-methyl-6-(2-methylfuran-3-yl)sulfanylhexan-2-ol
CID 107784729
2-amino-2-ethyl-5-(2-methylfuran-3-yl)sulfanylpentan-1-ol
CID 107784664
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
methyl 2-(cyclopropylamino)-4-(2-methylfuran-3-yl)sulfanylbutanoate
CID 107782130
6-(2-methylfuran-3-yl)sulfanylhexan-3-one
CID 104922699
methyl 2-(ethylamino)-2-methyl-5-(2-methylfuran-3-yl)sulfanylpentanoate
CID 107782200
N'-hydroxy-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
CID 107780325
(2S)-2-amino-2-methyl-4-pyridin-2-ylsulfanylbutanoic acid
CID 172812475
methyl 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylpentanoate
CID 107782174

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid?
The IUPAC name of 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid (CID 107782239) is 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid is Cc1occc1SCCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid?
The InChIKey is PFNQEIKYVIYTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-7-8(3-5-14-7)15-6-4-10(2,11)9(12)13/h3,5H,4,6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid?
2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-(2-methylfuran-3-yl)sulfanylbutanoic acid is sourced from PubChem (CID 107782239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).