2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid

C9H19NO2S — CID 107755772

IUPAC2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
SMILESCC(C)C(C)SCC(C)(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-6(2)7(3)13-5-9(4,10)8(11)12/h6-7H,5,10H2,1-4H3,(H,11,12)
InChIKeyVBIMETSWWJSTTB-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.57
Rot. Bonds5

About 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid

2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid (PubChem CID 107755772) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
PubChem CID107755772
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid
SMILESCC(C)C(C)SCC(C)(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-6(2)7(3)13-5-9(4,10)8(11)12/h6-7H,5,10H2,1-4H3,(H,11,12)
InChIKeyVBIMETSWWJSTTB-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755874
methyl 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoate
CID 107755651
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxypropyl]disulfanyl]-2-methylpropanoic acid;dihydrochloride
CID 175936776
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
CID 107764725
2-(ethylamino)-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanamide
CID 107755689
(2R)-2-amino-3-(2-aminoethylsulfanyl)-2-methylpropanoic acid;hydrochloride
CID 86584393
2-amino-2-ethyl-5-(3-methylbutan-2-ylsulfanyl)pentanoic acid
CID 107755879
2-(2-amino-2-methylpropyl)sulfanyl-3-methylbutanoic acid
CID 66230141
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
methyl 2-methyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 107755800
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid?
The IUPAC name of 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid (CID 107755772) is 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid.
What is the SMILES notation for 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid?
The canonical SMILES for 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid is CC(C)C(C)SCC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid?
The InChIKey is VBIMETSWWJSTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-6(2)7(3)13-5-9(4,10)8(11)12/h6-7H,5,10H2,1-4H3,(H,11,12).
What are the key properties of 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid?
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propanoic acid is sourced from PubChem (CID 107755772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).