2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid

C10H19NO2S — CID 79950070

IUPAC2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid
SMILESCC1CC(CC(=O)O)(C(C)(C)N)CS1
InChIInChI=1S/C10H19NO2S/c1-7-4-10(6-14-7,5-8(12)13)9(2,3)11/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyWGNVXCARFNIAIP-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.71
Rot. Bonds3

About 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid

2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid (PubChem CID 79950070) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid
PubChem CID79950070
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid
SMILESCC1CC(CC(=O)O)(C(C)(C)N)CS1
InChIInChI=1S/C10H19NO2S/c1-7-4-10(6-14-7,5-8(12)13)9(2,3)11/h7H,4-6,11H2,1-3H3,(H,12,13)
InChIKeyWGNVXCARFNIAIP-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid (CID 79950070) is 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid is CC1CC(CC(=O)O)(C(C)(C)N)CS1.
What is the InChIKey of 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid?
The InChIKey is WGNVXCARFNIAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7-4-10(6-14-7,5-8(12)13)9(2,3)11/h7H,4-6,11H2,1-3H3,(H,12,13).
What are the key properties of 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid?
2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid has a molecular weight of 217.33 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropan-2-yl)-5-methylthiolan-3-yl]acetic acid is sourced from PubChem (CID 79950070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).