3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid

C9H17NO2S — CID 117238110

IUPAC3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid
SMILESCN(C)CC(C(=O)O)C1CCSC1
InChIInChI=1S/C9H17NO2S/c1-10(2)5-8(9(11)12)7-3-4-13-6-7/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyNRVHOFTYOGLYIM-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.00
Rot. Bonds4

About 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid

3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid (PubChem CID 117238110) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid
PubChem CID117238110
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid
SMILESCN(C)CC(C(=O)O)C1CCSC1
InChIInChI=1S/C9H17NO2S/c1-10(2)5-8(9(11)12)7-3-4-13-6-7/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyNRVHOFTYOGLYIM-UHFFFAOYSA-N
XLogP1.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-2-(thiolan-3-yl)propan-1-ol
CID 117237604
3-(azepan-1-yl)-2-(thiolan-3-yl)propanoic acid
CID 117238165
3-methylsulfanyl-2-(thian-4-yl)propanoic acid
CID 117239862
2-ethoxy-2-(thiolan-3-yl)acetic acid
CID 107133941
2-(ethylamino)-2-(thiolan-3-yl)acetic acid
CID 107132983
methyl 3-hydroxy-2-(thiolan-3-yl)propanoate
CID 117238513
2-[acetyl(cyclopropyl)amino]-2-(thiolan-3-yl)acetic acid
CID 107133081
4-hydroxy-3-methyl-4-(thiolan-3-yl)butanoic acid
CID 107133425
3-(3-methoxyphenoxy)-2-(thiolan-3-yl)propanoic acid
CID 117238346
2-cyclopropyl-4-sulfanylbutanoic acid
CID 141438520
ethyl 2-[2-(dimethylamino)ethylamino]-2-(thiolan-3-yl)acetate
CID 107133046
4,4-difluoro-3-(thiolan-3-yl)butanoic acid
CID 115026877

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid?
The IUPAC name of 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid (CID 117238110) is 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid.
What is the SMILES notation for 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid?
The canonical SMILES for 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid is CN(C)CC(C(=O)O)C1CCSC1.
What is the InChIKey of 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid?
The InChIKey is NRVHOFTYOGLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-10(2)5-8(9(11)12)7-3-4-13-6-7/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid?
3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid has a molecular weight of 203.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-(thiolan-3-yl)propanoic acid is sourced from PubChem (CID 117238110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).