methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate

C10H19NO2S — CID 107295831

IUPACmethyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
SMILESCOC(=O)C(C)CNCC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-8(10(12)13-2)5-11-6-9-3-4-14-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyGDPFICBRPJSAKD-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate

methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate (PubChem CID 107295831) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
PubChem CID107295831
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Namemethyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate
SMILESCOC(=O)C(C)CNCC1CCSC1
InChIInChI=1S/C10H19NO2S/c1-8(10(12)13-2)5-11-6-9-3-4-14-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyGDPFICBRPJSAKD-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
ethyl 2-(thiolan-3-ylmethylamino)propanoate
CID 107131969
2-(thiolan-3-ylmethylamino)butanamide
CID 107295791
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
1-propan-2-yl-3-(thiolan-3-ylmethyl)urea
CID 107295543
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166431
(2S)-2-amino-4-methyl-N-(thiolan-3-ylmethyl)pentanamide
CID 107296003
2,2-dimethoxy-N-(thian-4-ylmethyl)ethanamine
CID 112704412
2-methyl-3-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297462
2-(thiolan-3-ylmethylamino)butanoic acid
CID 107295403

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate (CID 107295831) is methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate is COC(=O)C(C)CNCC1CCSC1.
What is the InChIKey of methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate?
The InChIKey is GDPFICBRPJSAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-8(10(12)13-2)5-11-6-9-3-4-14-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate?
methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate has a molecular weight of 217.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(thiolan-3-ylmethylamino)propanoate is sourced from PubChem (CID 107295831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).