(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid

C7H13NO3S — CID 28777824

IUPAC(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
SMILESCSCCC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-5(7(10)11)8-6(9)3-4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyZTFUJJFSQUZVEM-RXMQYKEDSA-N
MW191.25 g/mol
LogP0.33
Rot. Bonds5

About (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid

(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid (PubChem CID 28777824) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
PubChem CID28777824
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid
SMILESCSCCC(=O)N[C@H](C)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-5(7(10)11)8-6(9)3-4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyZTFUJJFSQUZVEM-RXMQYKEDSA-N
XLogP0.33
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 43183402
2-(3-ethylsulfanylpropanoylamino)propanoic acid
CID 115731119
(2S)-2-(3-hydroxypropanoylamino)propanoic acid
CID 126726083
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
CID 100962387
(2S)-2-(3-butylsulfanylpropanoylamino)propanoic acid
CID 103791009
2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43631087
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
N-(4-chlorobutan-2-yl)-3-methylsulfanylpropanamide
CID 83187471
3-methoxy-2-(3-methylsulfanylpropanoylamino)propanoic acid
CID 81080047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid (CID 28777824) is (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid is CSCCC(=O)N[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid?
The InChIKey is ZTFUJJFSQUZVEM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-5(7(10)11)8-6(9)3-4-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t5-/m1/s1.
What are the key properties of (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid?
(2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid has a molecular weight of 191.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylsulfanylpropanoylamino)propanoic acid is sourced from PubChem (CID 28777824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).