4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

C10H17NO5 — CID 22247795

IUPAC4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOC(=O)CCC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2)11(9(13)14)7(6-16-10)4-5-8(12)15-3/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyMHYSGQLZVCKBQC-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.05
Rot. Bonds3

About 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid

4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22247795) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
PubChem CID22247795
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
SMILESCOC(=O)CCC1COC(C)(C)N1C(=O)O
InChIInChI=1S/C10H17NO5/c1-10(2)11(9(13)14)7(6-16-10)4-5-8(12)15-3/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyMHYSGQLZVCKBQC-UHFFFAOYSA-N
XLogP1.05
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid (CID 22247795) is 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is COC(=O)CCC1COC(C)(C)N1C(=O)O.
What is the InChIKey of 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is MHYSGQLZVCKBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2)11(9(13)14)7(6-16-10)4-5-8(12)15-3/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid?
4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-oxopropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22247795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).