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

C10H15N3O6S — CID 14723672

IUPAC2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
SMILESCC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H15N3O6S/c1-6(14)20-5-9(17)12-3-7(15)11-2-8(16)13-4-10(18)19/h2-5H2,1H3,(H,11,15)(H,12,17)(H,13,16)(H,18,19)
InChIKeyFUTJPILBRVUUAL-UHFFFAOYSA-N
MW305.31 g/mol
LogP-2.30
Rot. Bonds8

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

2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 14723672) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID14723672
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
SMILESCC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C10H15N3O6S/c1-6(14)20-5-9(17)12-3-7(15)11-2-8(16)13-4-10(18)19/h2-5H2,1H3,(H,11,15)(H,12,17)(H,13,16)(H,18,19)
InChIKeyFUTJPILBRVUUAL-UHFFFAOYSA-N
XLogP-2.30
TPSA141.67 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-2.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid (CID 14723672) is 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid is CC(=O)SCC(=O)NCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is FUTJPILBRVUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-6(14)20-5-9(17)12-3-7(15)11-2-8(16)13-4-10(18)19/h2-5H2,1H3,(H,11,15)(H,12,17)(H,13,16)(H,18,19).
What are the key properties of 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 305.31 g/mol, XLogP of -2.30, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-acetylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 14723672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).