methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride

C8H15ClN2O5 — CID 166439676

IUPACmethyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)[C@@H](O)CN1CCOC1=O.Cl
InChIInChI=1S/C8H14N2O5.ClH/c1-14-7(12)6(9)5(11)4-10-2-3-15-8(10)13;/h5-6,11H,2-4,9H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyFQUBGCXJCZQNDQ-GEMLJDPKSA-N
MW254.67 g/mol
LogP-1.28
Rot. Bonds4

About methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride

methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride (PubChem CID 166439676) has the molecular formula C8H15ClN2O5 and a molecular weight of 254.67 g/mol. Its IUPAC name is methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride
PubChem CID166439676
Molecular FormulaC8H15ClN2O5
Molecular Weight254.67 g/mol
Exact Mass254.07
IUPAC Namemethyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)[C@@H](O)CN1CCOC1=O.Cl
InChIInChI=1S/C8H14N2O5.ClH/c1-14-7(12)6(9)5(11)4-10-2-3-15-8(10)13;/h5-6,11H,2-4,9H2,1H3;1H/t5-,6-;/m0./s1
InChIKeyFQUBGCXJCZQNDQ-GEMLJDPKSA-N
XLogP-1.28
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride?
The IUPAC name of methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride (CID 166439676) is methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride.
What is the SMILES notation for methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride?
The canonical SMILES for methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride is COC(=O)[C@@H](N)[C@@H](O)CN1CCOC1=O.Cl.
What is the InChIKey of methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride?
The InChIKey is FQUBGCXJCZQNDQ-GEMLJDPKSA-N. The full InChI is InChI=1S/C8H14N2O5.ClH/c1-14-7(12)6(9)5(11)4-10-2-3-15-8(10)13;/h5-6,11H,2-4,9H2,1H3;1H/t5-,6-;/m0./s1.
What are the key properties of methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride?
methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride has a molecular weight of 254.67 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-amino-3-hydroxy-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate;hydrochloride is sourced from PubChem (CID 166439676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).