methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate

C11H21NO2S — CID 43688949

IUPACmethyl 4-methyl-2-(thiolan-3-ylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCSC1
InChIInChI=1S/C11H21NO2S/c1-8(2)6-10(11(13)14-3)12-9-4-5-15-7-9/h8-10,12H,4-7H2,1-3H3
InChIKeyFEYSKIDDKZYQLW-UHFFFAOYSA-N
MW231.36 g/mol
LogP1.67
Rot. Bonds5

About methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate

methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate (PubChem CID 43688949) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(thiolan-3-ylamino)pentanoate
PubChem CID43688949
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Namemethyl 4-methyl-2-(thiolan-3-ylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC1CCSC1
InChIInChI=1S/C11H21NO2S/c1-8(2)6-10(11(13)14-3)12-9-4-5-15-7-9/h8-10,12H,4-7H2,1-3H3
InChIKeyFEYSKIDDKZYQLW-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate (CID 43688949) is methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate is COC(=O)C(CC(C)C)NC1CCSC1.
What is the InChIKey of methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate?
The InChIKey is FEYSKIDDKZYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S/c1-8(2)6-10(11(13)14-3)12-9-4-5-15-7-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate?
methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate has a molecular weight of 231.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(thiolan-3-ylamino)pentanoate is sourced from PubChem (CID 43688949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).