2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

C11H19NO4S — CID 65441695

IUPAC2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCOCCNC(=O)CSCC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-16-5-4-12-9(13)7-17-8-11(2-3-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyUMAWSDSPHNDWNO-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.74
Rot. Bonds9

About 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid

2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65441695) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65441695
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCOCCNC(=O)CSCC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-16-5-4-12-9(13)7-17-8-11(2-3-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyUMAWSDSPHNDWNO-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
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-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65441695) is 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is COCCNC(=O)CSCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is UMAWSDSPHNDWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-16-5-4-12-9(13)7-17-8-11(2-3-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).