2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid

C6H12N2O3S — CID 18978075

IUPAC2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid
SMILESNCC(=O)NCCSCC(=O)O
InChIInChI=1S/C6H12N2O3S/c7-3-5(9)8-1-2-12-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
InChIKeyGBRVKSIMDCMYPI-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.12
Rot. Bonds6

About 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid

2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid (PubChem CID 18978075) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid
PubChem CID18978075
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid
SMILESNCC(=O)NCCSCC(=O)O
InChIInChI=1S/C6H12N2O3S/c7-3-5(9)8-1-2-12-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
InChIKeyGBRVKSIMDCMYPI-UHFFFAOYSA-N
XLogP-1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid?
The IUPAC name of 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid (CID 18978075) is 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid.
What is the SMILES notation for 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid?
The canonical SMILES for 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid is NCC(=O)NCCSCC(=O)O.
What is the InChIKey of 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid?
The InChIKey is GBRVKSIMDCMYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c7-3-5(9)8-1-2-12-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid?
2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid has a molecular weight of 192.24 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-aminoacetyl)amino]ethylsulfanyl]acetic acid is sourced from PubChem (CID 18978075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).