methyl 2-(1,3-oxazolidin-2-yl)propanoate

C7H13NO3 — CID 70600522

IUPACmethyl 2-(1,3-oxazolidin-2-yl)propanoate
SMILESCOC(=O)C(C)C1NCCO1
InChIInChI=1S/C7H13NO3/c1-5(7(9)10-2)6-8-3-4-11-6/h5-6,8H,3-4H2,1-2H3
InChIKeyPPOAXQMJKRJANR-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.26
Rot. Bonds2

About methyl 2-(1,3-oxazolidin-2-yl)propanoate

methyl 2-(1,3-oxazolidin-2-yl)propanoate (PubChem CID 70600522) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl 2-(1,3-oxazolidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-oxazolidin-2-yl)propanoate
PubChem CID70600522
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl 2-(1,3-oxazolidin-2-yl)propanoate
SMILESCOC(=O)C(C)C1NCCO1
InChIInChI=1S/C7H13NO3/c1-5(7(9)10-2)6-8-3-4-11-6/h5-6,8H,3-4H2,1-2H3
InChIKeyPPOAXQMJKRJANR-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-oxazolidin-2-yl)propanoate?
The IUPAC name of methyl 2-(1,3-oxazolidin-2-yl)propanoate (CID 70600522) is methyl 2-(1,3-oxazolidin-2-yl)propanoate.
What is the SMILES notation for methyl 2-(1,3-oxazolidin-2-yl)propanoate?
The canonical SMILES for methyl 2-(1,3-oxazolidin-2-yl)propanoate is COC(=O)C(C)C1NCCO1.
What is the InChIKey of methyl 2-(1,3-oxazolidin-2-yl)propanoate?
The InChIKey is PPOAXQMJKRJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(7(9)10-2)6-8-3-4-11-6/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 2-(1,3-oxazolidin-2-yl)propanoate?
methyl 2-(1,3-oxazolidin-2-yl)propanoate has a molecular weight of 159.18 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-oxazolidin-2-yl)propanoate is sourced from PubChem (CID 70600522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).