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

C8H15NO3 — CID 68860828

IUPACmethyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C(C)C)N1
InChIInChI=1S/C8H15NO3/c1-5(2)7-9-6(4-12-7)8(10)11-3/h5-7,9H,4H2,1-3H3/t6-,7?/m0/s1
InChIKeyHMXHQHKLJLEOJM-PKPIPKONSA-N
MW173.21 g/mol
LogP0.13
Rot. Bonds2

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

methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 68860828) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate
PubChem CID68860828
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C(C)C)N1
InChIInChI=1S/C8H15NO3/c1-5(2)7-9-6(4-12-7)8(10)11-3/h5-7,9H,4H2,1-3H3/t6-,7?/m0/s1
InChIKeyHMXHQHKLJLEOJM-PKPIPKONSA-N
XLogP0.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate (CID 68860828) is methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(C(C)C)N1.
What is the InChIKey of methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is HMXHQHKLJLEOJM-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15NO3/c1-5(2)7-9-6(4-12-7)8(10)11-3/h5-7,9H,4H2,1-3H3/t6-,7?/m0/s1.
What are the key properties of methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate?
methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2-propan-2-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 68860828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).