2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid

C8H15N3O4S — CID 90727636

IUPAC2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid
SMILESNCC(=O)NCC(=O)N(CCS)CC(=O)O
InChIInChI=1S/C8H15N3O4S/c9-3-6(12)10-4-7(13)11(1-2-16)5-8(14)15/h16H,1-5,9H2,(H,10,12)(H,14,15)
InChIKeyRSAYCNBIYFPMGI-UHFFFAOYSA-N
MW249.29 g/mol
LogP-2.10
Rot. Bonds7

About 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid

2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid (PubChem CID 90727636) has the molecular formula C8H15N3O4S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid
PubChem CID90727636
Molecular FormulaC8H15N3O4S
Molecular Weight249.29 g/mol
Exact Mass249.08
IUPAC Name2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid
SMILESNCC(=O)NCC(=O)N(CCS)CC(=O)O
InChIInChI=1S/C8H15N3O4S/c9-3-6(12)10-4-7(13)11(1-2-16)5-8(14)15/h16H,1-5,9H2,(H,10,12)(H,14,15)
InChIKeyRSAYCNBIYFPMGI-UHFFFAOYSA-N
XLogP-2.10
TPSA112.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid (CID 90727636) is 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid is NCC(=O)NCC(=O)N(CCS)CC(=O)O.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid?
The InChIKey is RSAYCNBIYFPMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4S/c9-3-6(12)10-4-7(13)11(1-2-16)5-8(14)15/h16H,1-5,9H2,(H,10,12)(H,14,15).
What are the key properties of 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid?
2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid has a molecular weight of 249.29 g/mol, XLogP of -2.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-sulfanylethyl)amino]acetic acid is sourced from PubChem (CID 90727636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).