1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid

C11H17NO4 — CID 82762864

IUPAC1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1N1CCCOC1=O
InChIInChI=1S/C11H17NO4/c1-11(9(13)14)5-2-4-8(11)12-6-3-7-16-10(12)15/h8H,2-7H2,1H3,(H,13,14)
InChIKeyRWXLDPLCDGAXCJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.47
Rot. Bonds2

About 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid

1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 82762864) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
PubChem CID82762864
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1N1CCCOC1=O
InChIInChI=1S/C11H17NO4/c1-11(9(13)14)5-2-4-8(11)12-6-3-7-16-10(12)15/h8H,2-7H2,1H3,(H,13,14)
InChIKeyRWXLDPLCDGAXCJ-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid (CID 82762864) is 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1N1CCCOC1=O.
What is the InChIKey of 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is RWXLDPLCDGAXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(9(13)14)5-2-4-8(11)12-6-3-7-16-10(12)15/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).