2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid

C11H19NO4S — CID 65441971

IUPAC2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCCCNC(=O)CS(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-2-5-12-9(13)7-17(16)8-11(3-4-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyBWDOBDDDYSNREO-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.52
Rot. Bonds8

About 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid

2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid (PubChem CID 65441971) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid
PubChem CID65441971
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid
SMILESCCCNC(=O)CS(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-2-5-12-9(13)7-17(16)8-11(3-4-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15)
InChIKeyBWDOBDDDYSNREO-UHFFFAOYSA-N
XLogP0.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid (CID 65441971) is 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid is CCCNC(=O)CS(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
The InChIKey is BWDOBDDDYSNREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-2-5-12-9(13)7-17(16)8-11(3-4-11)6-10(14)15/h2-8H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid has a molecular weight of 261.34 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-oxo-2-(propylamino)ethyl]sulfinylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).