2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid

C10H20N2O4S — CID 87631897

IUPAC2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
SMILESCC(C)(CCO)SC[C@H](N)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-0.59
Rot. Bonds8

About 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid

2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid (PubChem CID 87631897) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
PubChem CID87631897
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
SMILESCC(C)(CCO)SC[C@H](N)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-0.59
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid (CID 87631897) is 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid is CC(C)(CCO)SC[C@H](N)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid?
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-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid?
2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid has a molecular weight of 264.35 g/mol, XLogP of -0.59, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-(4-hydroxy-2-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid is sourced from PubChem (CID 87631897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).