2-[(2-phenylsulfanylacetyl)amino]acetic acid

C10H11NO3S — CID 676748

IUPAC2-[(2-phenylsulfanylacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccccc1
InChIInChI=1S/C10H11NO3S/c12-9(11-6-10(13)14)7-15-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKeyOVJKNWZFRRCVGV-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.98
Rot. Bonds5

About 2-[(2-phenylsulfanylacetyl)amino]acetic acid

2-[(2-phenylsulfanylacetyl)amino]acetic acid (PubChem CID 676748) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(2-phenylsulfanylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-phenylsulfanylacetyl)amino]acetic acid
PubChem CID676748
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-[(2-phenylsulfanylacetyl)amino]acetic acid
SMILESO=C(O)CNC(=O)CSc1ccccc1
InChIInChI=1S/C10H11NO3S/c12-9(11-6-10(13)14)7-15-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)
InChIKeyOVJKNWZFRRCVGV-UHFFFAOYSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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beta-Phenylcysteine
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N-[2-(tert-butylsulfanyl)ethyl]-2-(phenylsulfanyl)acetamide
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2-[2-(4-Bromophenyl)sulfanylethylamino]acetic acid
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Glycine, N-[2-[(4-chlorophenyl)thio]ethyl]-
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2-[2-(3-Bromophenyl)sulfanylethylamino]acetic acid
CID 54585782
2-(2-Phenylsulfanylethylamino)acetic acid
CID 12201850
2-[2-(4-Fluorophenyl)sulfanylethylamino]acetic acid
CID 43465874
N-(1-phenylsulfanylpropan-2-yl)acetamide
CID 49865423
N-[(2S)-1-phenylsulfanylpropan-2-yl]acetamide
CID 49865425

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylsulfanylacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-phenylsulfanylacetyl)amino]acetic acid (CID 676748) is 2-[(2-phenylsulfanylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-phenylsulfanylacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-phenylsulfanylacetyl)amino]acetic acid is O=C(O)CNC(=O)CSc1ccccc1.
What is the InChIKey of 2-[(2-phenylsulfanylacetyl)amino]acetic acid?
The InChIKey is OVJKNWZFRRCVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(11-6-10(13)14)7-15-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-phenylsulfanylacetyl)amino]acetic acid?
2-[(2-phenylsulfanylacetyl)amino]acetic acid has a molecular weight of 225.27 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylsulfanylacetyl)amino]acetic acid is sourced from PubChem (CID 676748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).