(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid

C10H19NO3S — CID 103791212

IUPAC(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid
SMILESCCSC(C(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C10H19NO3S/c1-5-15-8(6(2)3)9(12)11-7(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7-,8?/m1/s1
InChIKeySITMRCVVBVGUNT-GVHYBUMESA-N
MW233.33 g/mol
LogP1.35
Rot. Bonds6

About (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid

(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid (PubChem CID 103791212) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid
PubChem CID103791212
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid
SMILESCCSC(C(=O)N[C@H](C)C(=O)O)C(C)C
InChIInChI=1S/C10H19NO3S/c1-5-15-8(6(2)3)9(12)11-7(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7-,8?/m1/s1
InChIKeySITMRCVVBVGUNT-GVHYBUMESA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]butanoic acid
CID 115731084
(E)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]hex-4-enoic acid
CID 120694250
2-(2-methylbutanoylamino)propanoic acid
CID 14758658
2-(2,3-dihydroxypropanoylamino)propanoic acid
CID 86130746
2-[[2-[butyl(ethyl)amino]-3-methylbutanoyl]amino]propanoic acid
CID 82043173
(2S)-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 103791005
2-(2-methylsulfanylpropanoylamino)propanoic acid
CID 22950848
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
2-(2-methylundecanoylamino)propanoic acid
CID 89211024
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
(2R)-2-[[(2S)-2-sulfanylpropanoyl]amino]propanoic acid
CID 11063423
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid (CID 103791212) is (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid is CCSC(C(=O)N[C@H](C)C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid?
The InChIKey is SITMRCVVBVGUNT-GVHYBUMESA-N. The full InChI is InChI=1S/C10H19NO3S/c1-5-15-8(6(2)3)9(12)11-7(4)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid?
(2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid has a molecular weight of 233.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethylsulfanyl-3-methylbutanoyl)amino]propanoic acid is sourced from PubChem (CID 103791212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).