2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid

C10H18N2O4S — CID 11482413

IUPAC2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid
SMILESCC(=O)NC(CSC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(2)17-5-8(12-7(3)13)10(16)11-4-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyNUVOACKSWTZKKJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.17
Rot. Bonds7

About 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid

2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid (PubChem CID 11482413) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid
PubChem CID11482413
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC Name2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid
SMILESCC(=O)NC(CSC(C)C)C(=O)NCC(=O)O
InChIInChI=1S/C10H18N2O4S/c1-6(2)17-5-8(12-7(3)13)10(16)11-4-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKeyNUVOACKSWTZKKJ-UHFFFAOYSA-N
XLogP-0.17
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid (CID 11482413) is 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid is CC(=O)NC(CSC(C)C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid?
The InChIKey is NUVOACKSWTZKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-6(2)17-5-8(12-7(3)13)10(16)11-4-9(14)15/h6,8H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid?
2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid has a molecular weight of 262.33 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-acetamido-3-propan-2-ylsulfanylpropanoyl)amino]acetic acid is sourced from PubChem (CID 11482413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).