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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Related Compounds

Methyl 1,4-oxazepane-6-carboxylate
CID 84716693
Oxazolidiniumylacetat
CID 129890532
Ethyl 2-methyl-1,3-oxazolidine-2-acetate
CID 565864
2-(1,3-Oxazolidin-2-yl)propanoic acid
CID 21413037
2-(1,3-Oxazolidin-2-yl)acetic acid
CID 53838113
Methyl 2-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 53885601
(2-Amino-2-sulfanylideneethyl) 2-(1,3-oxazolidin-2-yl)propanoate
CID 57187605
(4S)-2-Isopropyl-1,3-oxazolidine-4-carboxylic acid methyl ester
CID 68860828
2-(1,3-Oxazolidin-2-yl)propanamide
CID 69845109
Methyl 2-ethyl-1,3-oxazolidine-4-carboxylate
CID 143887218
2-(1,3-Oxazolidin-2-yl)propanal
CID 145747747
Ethyl 2-(1,3-oxazolidin-2-yl)acetate
CID 85699554

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).