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

C9H15NO3S — CID 65441516

IUPAC2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)CSCC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO3S/c1-10-7(11)5-14-6-9(2-3-9)4-8(12)13/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyGCCHNEPHHMNSDR-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.72
Rot. Bonds6

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

2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (PubChem CID 65441516) has the molecular formula C9H15NO3S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
PubChem CID65441516
Molecular FormulaC9H15NO3S
Molecular Weight217.29 g/mol
Exact Mass217.08
IUPAC Name2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid
SMILESCNC(=O)CSCC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO3S/c1-10-7(11)5-14-6-9(2-3-9)4-8(12)13/h2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyGCCHNEPHHMNSDR-UHFFFAOYSA-N
XLogP0.72
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid (CID 65441516) is 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is CNC(=O)CSCC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
The InChIKey is GCCHNEPHHMNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3S/c1-10-7(11)5-14-6-9(2-3-9)4-8(12)13/h2-6H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid?
2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid has a molecular weight of 217.29 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(methylamino)-2-oxoethyl]sulfanylmethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 65441516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).