2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate

C10H20N2O4S — CID 134820143

IUPAC2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate
SMILESCC(C)(CCO)SC[C@H]([NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C10H20N2O4S/c1-10(2,3-4-13)17-6-7(11)9(16)12-5-8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyVKNYIUAACZKZDC-ZETCQYMHSA-N
MW264.35 g/mol
LogP-2.64
Rot. Bonds8

About 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate

2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate (PubChem CID 134820143) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate
PubChem CID134820143
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate
SMILESCC(C)(CCO)SC[C@H]([NH3+])C(=O)NCC(=O)[O-]
InChIInChI=1S/C10H20N2O4S/c1-10(2,3-4-13)17-6-7(11)9(16)12-5-8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKeyVKNYIUAACZKZDC-ZETCQYMHSA-N
XLogP-2.64
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-2.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate with MolForge

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Related Compounds

Methionylmethionine
CID 104294
S-(L-2-(Acetylamino)-2-carboxyethyl)-L-homocysteine
CID 152314
Glycylmethionine, DL-
CID 96757
Methionylalanine
CID 14878381
Methionyl-threonine
CID 18218230
L-Valine, N-L-methionyl-, radical ion(1-)
CID 23274411
Methionyl-alanyl-serine
CID 444641
Glycyl-L-methionine
CID 151282
L-Methionyl-L-alanine
CID 7009581
Met-Ser
CID 7009592
MS
CID 4448381
N-formylmethionylalanine
CID 4363

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate?
The IUPAC name of 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate (CID 134820143) is 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate?
The canonical SMILES for 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate is CC(C)(CCO)SC[C@H]([NH3+])C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate?
The InChIKey is VKNYIUAACZKZDC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2,3-4-13)17-6-7(11)9(16)12-5-8(14)15/h7,13H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)/t7-/m0/s1.
What are the key properties of 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate?
2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate has a molecular weight of 264.35 g/mol, XLogP of -2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-azaniumyl-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetate is sourced from PubChem (CID 134820143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).