2-[(2-phenylacetyl)-sulfanylamino]acetic acid

C10H11NO3S — CID 174581957

IUPAC2-[(2-phenylacetyl)-sulfanylamino]acetic acid
SMILESO=C(O)CN(S)C(=O)Cc1ccccc1
InChIInChI=1S/C10H11NO3S/c12-9(11(15)7-10(13)14)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,13,14)
InChIKeyQPXYUGWRGLYJGY-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.99
Rot. Bonds4

About 2-[(2-phenylacetyl)-sulfanylamino]acetic acid

2-[(2-phenylacetyl)-sulfanylamino]acetic acid (PubChem CID 174581957) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-[(2-phenylacetyl)-sulfanylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-phenylacetyl)-sulfanylamino]acetic acid
PubChem CID174581957
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name2-[(2-phenylacetyl)-sulfanylamino]acetic acid
SMILESO=C(O)CN(S)C(=O)Cc1ccccc1
InChIInChI=1S/C10H11NO3S/c12-9(11(15)7-10(13)14)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,13,14)
InChIKeyQPXYUGWRGLYJGY-UHFFFAOYSA-N
XLogP0.99
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

calcium;hydride;2-phenylacetic acid
CID 173132712
N,2-diphenyl-N-(2-phenylacetyl)acetamide
CID 23298384
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
2-(N-sulfanylanilino)acetic acid
CID 87905389
N-benzyl-N-hydroxy-2-phenylacetamide
CID 10933642
formaldehyde;2-phenylacetic acid
CID 70638018
lithium 2-phenylacetate
CID 19205773
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
CID 11109126

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylacetyl)-sulfanylamino]acetic acid?
The IUPAC name of 2-[(2-phenylacetyl)-sulfanylamino]acetic acid (CID 174581957) is 2-[(2-phenylacetyl)-sulfanylamino]acetic acid.
What is the SMILES notation for 2-[(2-phenylacetyl)-sulfanylamino]acetic acid?
The canonical SMILES for 2-[(2-phenylacetyl)-sulfanylamino]acetic acid is O=C(O)CN(S)C(=O)Cc1ccccc1.
What is the InChIKey of 2-[(2-phenylacetyl)-sulfanylamino]acetic acid?
The InChIKey is QPXYUGWRGLYJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c12-9(11(15)7-10(13)14)6-8-4-2-1-3-5-8/h1-5,15H,6-7H2,(H,13,14).
What are the key properties of 2-[(2-phenylacetyl)-sulfanylamino]acetic acid?
2-[(2-phenylacetyl)-sulfanylamino]acetic acid has a molecular weight of 225.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylacetyl)-sulfanylamino]acetic acid is sourced from PubChem (CID 174581957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).