methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate

C14H24N2O5 — CID 70067247

IUPACmethyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(=O)N1C(O)C(N)CC1CCCCC1
InChIInChI=1S/C14H24N2O5/c1-20-13(18)11-8-21-14(19)16(11)12(17)10(15)7-9-5-3-2-4-6-9/h9-12,17H,2-8,15H2,1H3/t10?,11-,12?/m0/s1
InChIKeyHJUJSWLVYQRZIQ-CXQJBGSLSA-N
MW300.36 g/mol
LogP0.60
Rot. Bonds5

About methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate

methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 70067247) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID70067247
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Namemethyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(=O)N1C(O)C(N)CC1CCCCC1
InChIInChI=1S/C14H24N2O5/c1-20-13(18)11-8-21-14(19)16(11)12(17)10(15)7-9-5-3-2-4-6-9/h9-12,17H,2-8,15H2,1H3/t10?,11-,12?/m0/s1
InChIKeyHJUJSWLVYQRZIQ-CXQJBGSLSA-N
XLogP0.60
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate (CID 70067247) is methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(=O)N1C(O)C(N)CC1CCCCC1.
What is the InChIKey of methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is HJUJSWLVYQRZIQ-CXQJBGSLSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-20-13(18)11-8-21-14(19)16(11)12(17)10(15)7-9-5-3-2-4-6-9/h9-12,17H,2-8,15H2,1H3/t10?,11-,12?/m0/s1.
What are the key properties of methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-3-(2-amino-3-cyclohexyl-1-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 70067247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).