3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid

C13H21NO4 — CID 103550019

IUPAC3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CCC(C(=O)O)C2)CCO1
InChIInChI=1S/C13H21NO4/c1-13(2)8-14(5-6-18-13)11(15)9-3-4-10(7-9)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyAYLQKZGYVIVQRX-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.12
Rot. Bonds2

About 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid

3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103550019) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103550019
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CCC(C(=O)O)C2)CCO1
InChIInChI=1S/C13H21NO4/c1-13(2)8-14(5-6-18-13)11(15)9-3-4-10(7-9)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyAYLQKZGYVIVQRX-UHFFFAOYSA-N
XLogP1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid (CID 103550019) is 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid is CC1(C)CN(C(=O)C2CCC(C(=O)O)C2)CCO1.
What is the InChIKey of 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is AYLQKZGYVIVQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(2)8-14(5-6-18-13)11(15)9-3-4-10(7-9)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).