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

C10H16N4O6S — CID 71338077

IUPAC2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CS
InChIInChI=1S/C10H16N4O6S/c15-6(12-2-8(17)14-4-10(19)20)1-11-7(16)3-13-9(18)5-21/h21H,1-5H2,(H,11,16)(H,12,15)(H,13,18)(H,14,17)(H,19,20)
InChIKeyBHZDWBVRFJQQEL-UHFFFAOYSA-N
MW320.33 g/mol
LogP-3.53
Rot. Bonds9

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

2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 71338077) has the molecular formula C10H16N4O6S and a molecular weight of 320.33 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID71338077
Molecular FormulaC10H16N4O6S
Molecular Weight320.33 g/mol
Exact Mass320.08
IUPAC Name2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CS
InChIInChI=1S/C10H16N4O6S/c15-6(12-2-8(17)14-4-10(19)20)1-11-7(16)3-13-9(18)5-21/h21H,1-5H2,(H,11,16)(H,12,15)(H,13,18)(H,14,17)(H,19,20)
InChIKeyBHZDWBVRFJQQEL-UHFFFAOYSA-N
XLogP-3.53
TPSA153.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 5-3.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid (CID 71338077) is 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CS.
What is the InChIKey of 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is BHZDWBVRFJQQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O6S/c15-6(12-2-8(17)14-4-10(19)20)1-11-7(16)3-13-9(18)5-21/h21H,1-5H2,(H,11,16)(H,12,15)(H,13,18)(H,14,17)(H,19,20).
What are the key properties of 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 320.33 g/mol, XLogP of -3.53, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-[(2-sulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 71338077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).