4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid

C11H23NO2S — CID 155297539

IUPAC4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid
SMILESCC(C)(CN)CSC(C)(C)CCC(=O)O
InChIInChI=1S/C11H23NO2S/c1-10(2,7-12)8-15-11(3,4)6-5-9(13)14/h5-8,12H2,1-4H3,(H,13,14)
InChIKeyXVPFVHCCFSEWPP-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.35
Rot. Bonds7

About 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid

4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid (PubChem CID 155297539) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid
PubChem CID155297539
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid
SMILESCC(C)(CN)CSC(C)(C)CCC(=O)O
InChIInChI=1S/C11H23NO2S/c1-10(2,7-12)8-15-11(3,4)6-5-9(13)14/h5-8,12H2,1-4H3,(H,13,14)
InChIKeyXVPFVHCCFSEWPP-UHFFFAOYSA-N
XLogP2.35
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid?
The IUPAC name of 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid (CID 155297539) is 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid.
What is the SMILES notation for 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid?
The canonical SMILES for 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid is CC(C)(CN)CSC(C)(C)CCC(=O)O.
What is the InChIKey of 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid?
The InChIKey is XVPFVHCCFSEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2,7-12)8-15-11(3,4)6-5-9(13)14/h5-8,12H2,1-4H3,(H,13,14).
What are the key properties of 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid?
4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid has a molecular weight of 233.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2,2-dimethylpropyl)sulfanyl-4-methylpentanoic acid is sourced from PubChem (CID 155297539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).