(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid

C8H17NO3S — CID 104930585

IUPAC(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid
SMILESCCC(C)(O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3S/c1-3-8(2,12)5-13-4-6(9)7(10)11/h6,12H,3-5,9H2,1-2H3,(H,10,11)/t6-,8?/m0/s1
InChIKeyLMFJIMXGRCTEAZ-UUEFVBAFSA-N
MW207.29 g/mol
LogP0.29
Rot. Bonds6

About (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid

(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid (PubChem CID 104930585) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid
PubChem CID104930585
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid
SMILESCCC(C)(O)CSC[C@H](N)C(=O)O
InChIInChI=1S/C8H17NO3S/c1-3-8(2,12)5-13-4-6(9)7(10)11/h6,12H,3-5,9H2,1-2H3,(H,10,11)/t6-,8?/m0/s1
InChIKeyLMFJIMXGRCTEAZ-UUEFVBAFSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(3,3-dimethylbutylsulfanyl)propanoic acid
CID 61147258
2-amino-3-[(2S)-2-amino-3-oxobutyl]sulfanylpropanoic acid
CID 59034309
2-amino-3-(2-amino-3-oxobutyl)sulfanylpropanoic acid
CID 21345005
1-(2-amino-2-methylpropyl)sulfanyl-2-methylbutan-2-ol
CID 114494302
2-(2-ethyl-2-hydroxybutyl)sulfanyl-2-methylpropanoic acid
CID 114491469
(2S)-2-amino-3-(methylsulfanylmethylsulfanyl)propanoic acid
CID 15000213
(2S)-3-amino-2-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-methylpropanoic acid
CID 11623495
2-amino-3-(2-ethylsulfonylethylsulfanyl)propanoic acid
CID 43807856
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
(2S)-2-amino-3-(2-methylpentylsulfanyl)propanoic acid
CID 107773647
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615
1-(2-hydroxyethylsulfanyl)-2-methylbutan-2-ol
CID 114495238

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid (CID 104930585) is (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid is CCC(C)(O)CSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid?
The InChIKey is LMFJIMXGRCTEAZ-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-3-8(2,12)5-13-4-6(9)7(10)11/h6,12H,3-5,9H2,1-2H3,(H,10,11)/t6-,8?/m0/s1.
What are the key properties of (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid?
(2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid has a molecular weight of 207.29 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(2-hydroxy-2-methylbutyl)sulfanylpropanoic acid is sourced from PubChem (CID 104930585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).