methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate

C9H15NO5 — CID 131844719

IUPACmethyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)CCN1COCC1C(=O)OC
InChIInChI=1S/C9H15NO5/c1-13-8(11)3-4-10-6-15-5-7(10)9(12)14-2/h7H,3-6H2,1-2H3
InChIKeyNAUCNXFWNNQANA-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.62
Rot. Bonds4

About methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate

methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate (PubChem CID 131844719) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate
PubChem CID131844719
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namemethyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)CCN1COCC1C(=O)OC
InChIInChI=1S/C9H15NO5/c1-13-8(11)3-4-10-6-15-5-7(10)9(12)14-2/h7H,3-6H2,1-2H3
InChIKeyNAUCNXFWNNQANA-UHFFFAOYSA-N
XLogP-0.62
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-methyloxazolidine-4-carboxylate
CID 10701946
Methyl 3-(1-fluoro-2-methoxy-2-oxoethyl)-1,3-oxazolidine-4-carboxylate
CID 174446791
Methyl 3-ethyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 14683573
Methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate
CID 21015126
3-Methoxy-2-pyrrolidin-1-ylpropanoic acid
CID 21873274
Methyl 3-propanoyl-1,3-oxazolidine-4-carboxylate
CID 60106694
Methyl 3-propanethioyl-1,3-oxazolidine-4-carboxylate
CID 60106743
3-Pentan-3-yl-1,3-oxazolidine-4-carboxylic acid
CID 89018758
methyl (4R)-2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate
CID 89863156
Methyl 2-(dimethylamino)-3-methoxypropanoate;methyl 3-(dimethylamino)-3-methoxypropanoate
CID 91112256
methyl (4S)-3-methyl-1,3-oxazolidine-4-carboxylate
CID 93501245
Methyl 4-(ethoxymethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 149891442

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate (CID 131844719) is methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate is COC(=O)CCN1COCC1C(=O)OC.
What is the InChIKey of methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate?
The InChIKey is NAUCNXFWNNQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-13-8(11)3-4-10-6-15-5-7(10)9(12)14-2/h7H,3-6H2,1-2H3.
What are the key properties of methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate?
methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate has a molecular weight of 217.22 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxy-3-oxopropyl)-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 131844719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).