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

C9H16N2O5S — CID 43465329

IUPAC2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid
SMILESCOCCSCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O5S/c1-16-2-3-17-6-8(13)10-4-7(12)11-5-9(14)15/h2-6H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyUMYGPAAYSQKGKY-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.32
Rot. Bonds9

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

2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465329) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43465329
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid
SMILESCOCCSCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O5S/c1-16-2-3-17-6-8(13)10-4-7(12)11-5-9(14)15/h2-6H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKeyUMYGPAAYSQKGKY-UHFFFAOYSA-N
XLogP-1.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylsulfanyl)-N-(2-methylprop-2-enyl)acetamide
CID 114618631
2-(2-methoxyethylsulfanyl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915012
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
2-[[2-[[2-[(2-phosphanylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 59692232
2-[[2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 82951795
(2S)-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylbutanoic acid
CID 61137493
4-[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]ethyl]benzoic acid
CID 43665750
N-(2-hydroxy-2,4-dimethylpentyl)-2-(2-methoxyethylsulfanyl)acetamide
CID 66179365
2-(2-methoxyethylsulfanyl)acetamide;hydrochloride
CID 88501364
3-(2-methoxyethylsulfanyl)propanoic acid
CID 24706502
(2S)-4-methoxy-2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-4-oxobutanoic acid
CID 63307466
3-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43237259

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid (CID 43465329) is 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid is COCCSCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is UMYGPAAYSQKGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-16-2-3-17-6-8(13)10-4-7(12)11-5-9(14)15/h2-6H2,1H3,(H,10,13)(H,11,12)(H,14,15).
What are the key properties of 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 264.30 g/mol, XLogP of -1.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2-methoxyethylsulfanyl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).