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

C12H14N2O4S — CID 43387626

IUPAC2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CSc1ccccc1
InChIInChI=1S/C12H14N2O4S/c15-10(14-7-12(17)18)6-13-11(16)8-19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIVLYDBOKBBBTRA-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.10
Rot. Bonds7

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

2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid (PubChem CID 43387626) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
PubChem CID43387626
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CSc1ccccc1
InChIInChI=1S/C12H14N2O4S/c15-10(14-7-12(17)18)6-13-11(16)8-19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyIVLYDBOKBBBTRA-UHFFFAOYSA-N
XLogP0.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroprop-2-enyl)-2-phenylsulfanylacetamide
CID 115636458
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]acetic acid
CID 676713
2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
2-(4-phenylsulfanylbutanoylamino)acetic acid
CID 43239031
2-phenylsulfanylacetohydrazide
CID 7037418
2-phenylsulfanyl-N-prop-2-ynylacetamide
CID 78792428
7-[(2-phenylsulfanylacetyl)amino]heptanoic acid
CID 43240079
N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
3-[(2-phenylsulfanylacetyl)amino]butanoic acid
CID 43240764
N-(3-bromopropyl)-2-phenylsulfanylacetamide
CID 69178614
N-[(2S)-2-hydroxypropyl]-2-phenylsulfanylacetamide
CID 83029625
N-(2-aminopropyl)-2-phenylsulfanylacetamide
CID 63731692

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid (CID 43387626) is 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CSc1ccccc1.
What is the InChIKey of 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid?
The InChIKey is IVLYDBOKBBBTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c15-10(14-7-12(17)18)6-13-11(16)8-19-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid?
2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid has a molecular weight of 282.32 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-phenylsulfanylacetyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43387626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).