methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate

C6H11NO4 — CID 130523459

IUPACmethyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate
SMILESCOC(=O)CN1C[C@H](O)CO1
InChIInChI=1S/C6H11NO4/c1-10-6(9)3-7-2-5(8)4-11-7/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyOMPWBHZKMJFRFI-YFKPBYRVSA-N
MW161.16 g/mol
LogP-1.23
Rot. Bonds2

About methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate

methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate (PubChem CID 130523459) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate
PubChem CID130523459
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate
SMILESCOC(=O)CN1C[C@H](O)CO1
InChIInChI=1S/C6H11NO4/c1-10-6(9)3-7-2-5(8)4-11-7/h5,8H,2-4H2,1H3/t5-/m0/s1
InChIKeyOMPWBHZKMJFRFI-YFKPBYRVSA-N
XLogP-1.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl] acetate
CID 145779300
[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl] acetate
CID 145779301
methyl 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79410316
ethyl 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79420441
Methyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate
CID 106670107
Ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)acetate
CID 106670125
2-(3-Hydroxy-4-methoxypyrrolidin-1-yl)acetic acid
CID 121203836
2-(4-Hydroxy-1,2-oxazolidin-2-yl)propanoic acid
CID 127018998
2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129321532
2-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499605
2-[(3R,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499606
2-[(3S,4S)-3-hydroxy-4-methoxypyrrolidin-1-yl]acetic acid
CID 129499607

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate (CID 130523459) is methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate is COC(=O)CN1C[C@H](O)CO1.
What is the InChIKey of methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate?
The InChIKey is OMPWBHZKMJFRFI-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO4/c1-10-6(9)3-7-2-5(8)4-11-7/h5,8H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate?
methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate has a molecular weight of 161.16 g/mol, XLogP of -1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]acetate is sourced from PubChem (CID 130523459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).