4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid

C10H17NO5S — CID 66222270

IUPAC4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCOCCSCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-15-2-3-17-6-9(12)11-8-5-16-4-7(8)10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyMHVPPDLGZXWELA-UHFFFAOYSA-N
MW263.31 g/mol
LogP-0.42
Rot. Bonds7

About 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid

4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 66222270) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID66222270
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid
SMILESCOCCSCC(=O)NC1COCC1C(=O)O
InChIInChI=1S/C10H17NO5S/c1-15-2-3-17-6-9(12)11-8-5-16-4-7(8)10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyMHVPPDLGZXWELA-UHFFFAOYSA-N
XLogP-0.42
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-[[2-(2-methoxyethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320687
4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2-methoxyethylsulfanyl)acetamide
CID 104630676
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
CID 66223983
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
4-(4-phenoxybutanoylamino)oxolane-3-carboxylic acid
CID 66221172
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222068
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087
4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66222682

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid (CID 66222270) is 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid is COCCSCC(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is MHVPPDLGZXWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-15-2-3-17-6-9(12)11-8-5-16-4-7(8)10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid?
4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyethylsulfanyl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66222270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).