methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate

C10H19NO3 — CID 68861588

IUPACmethyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate
SMILESCCC(C)CC1N[C@H](C(=O)OC)CO1
InChIInChI=1S/C10H19NO3/c1-4-7(2)5-9-11-8(6-14-9)10(12)13-3/h7-9,11H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyRKRAHELTILVGTN-MGURRDGZSA-N
MW201.27 g/mol
LogP0.91
Rot. Bonds4

About methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate

methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 68861588) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate
PubChem CID68861588
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate
SMILESCCC(C)CC1N[C@H](C(=O)OC)CO1
InChIInChI=1S/C10H19NO3/c1-4-7(2)5-9-11-8(6-14-9)10(12)13-3/h7-9,11H,4-6H2,1-3H3/t7?,8-,9?/m0/s1
InChIKeyRKRAHELTILVGTN-MGURRDGZSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate (CID 68861588) is methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate is CCC(C)CC1N[C@H](C(=O)OC)CO1.
What is the InChIKey of methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is RKRAHELTILVGTN-MGURRDGZSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-7(2)5-9-11-8(6-14-9)10(12)13-3/h7-9,11H,4-6H2,1-3H3/t7?,8-,9?/m0/s1.
What are the key properties of methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate?
methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-(2-methylbutyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 68861588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).