tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate

C9H15NO5 — CID 59561906

IUPACtert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1NC(O)OC1=O
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5/h5,8,10,13H,4H2,1-3H3/t5-,8?/m0/s1
InChIKeyIRMCMPPWIUUKBK-NTFOPCPOSA-N
MW217.22 g/mol
LogP-0.49
Rot. Bonds2

About tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate

tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate (PubChem CID 59561906) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate
PubChem CID59561906
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Nametert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1NC(O)OC1=O
InChIInChI=1S/C9H15NO5/c1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5/h5,8,10,13H,4H2,1-3H3/t5-,8?/m0/s1
InChIKeyIRMCMPPWIUUKBK-NTFOPCPOSA-N
XLogP-0.49
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-(5-methylidene-2-oxo-1,3-oxazolidin-4-yl)acetate
CID 90712770
tert-butyl 2-[5-[2-(tert-butylamino)-2-oxoethyl]-3,6-dioxo-1,4-dioxan-2-yl]acetate
CID 171467689
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 122670979
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465
tert-butyl 2-(6-ethyl-2-oxo-1,3-dioxan-4-yl)acetate
CID 142258058
tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 142751695
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
tert-butyl 2-(3-methyl-2,4-dioxocyclohexyl)acetate
CID 23253643
tert-butyl 2-[(3R)-5,5-dimethyl-2-oxopyrrolidin-3-yl]acetate
CID 163782535
tert-butyl 2-(2,3-dioxocyclopentyl)acetate
CID 91496821
[(4S,6R)-4-(iodomethyl)-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3-dioxan-2-ylidene]oxidanium
CID 142258057
tert-butyl 2-[(5S,24S)-24-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,7,10,19,22,25-hexaoxo-3,6,8,11,18,21,23,26-octazatricyclo[26.2.2.213,16]tetratriaconta-1(31),13,15,28(32),29,33-hexaen-5-yl]acetate
CID 12061606

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate (CID 59561906) is tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate is CC(C)(C)OC(=O)C[C@@H]1NC(O)OC1=O.
What is the InChIKey of tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate?
The InChIKey is IRMCMPPWIUUKBK-NTFOPCPOSA-N. The full InChI is InChI=1S/C9H15NO5/c1-9(2,3)15-6(11)4-5-7(12)14-8(13)10-5/h5,8,10,13H,4H2,1-3H3/t5-,8?/m0/s1.
What are the key properties of tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate?
tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate has a molecular weight of 217.22 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4S)-2-hydroxy-5-oxo-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 59561906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).