(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid

C17H20ClNO5 — CID 125118569

IUPAC(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CCO1
InChIInChI=1S/C17H20ClNO5/c18-11-5-6-14(24-12-3-1-2-4-12)13(9-11)16(20)19-7-8-23-15(10-19)17(21)22/h5-6,9,12,15H,1-4,7-8,10H2,(H,21,22)/t15-/m1/s1
InChIKeyCTHCGOVONXWRLL-OAHLLOKOSA-N
MW353.80 g/mol
LogP2.59
Rot. Bonds4

About (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid

(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid (PubChem CID 125118569) has the molecular formula C17H20ClNO5 and a molecular weight of 353.80 g/mol. Its IUPAC name is (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
PubChem CID125118569
Molecular FormulaC17H20ClNO5
Molecular Weight353.80 g/mol
Exact Mass353.10
IUPAC Name(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CCO1
InChIInChI=1S/C17H20ClNO5/c18-11-5-6-14(24-12-3-1-2-4-12)13(9-11)16(20)19-7-8-23-15(10-19)17(21)22/h5-6,9,12,15H,1-4,7-8,10H2,(H,21,22)/t15-/m1/s1
InChIKeyCTHCGOVONXWRLL-OAHLLOKOSA-N
XLogP2.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(5-chloro-2-cyclopentyloxybenzoyl)piperidine-3-carboxylic acid
CID 99623082
5-chloro-2-cyclohexyloxybenzoic acid
CID 43141867
(5-chloro-2-cyclopentyloxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119541982
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 72873323
(5-chloro-2-cyclopentyloxyphenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119625007
(5-chloro-2-cyclopentyloxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546509
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 125118625
4-(6-cyclopentyloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 120526097
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-chloro-2-cyclopentyloxyphenyl)methanone;hydrochloride
CID 120814057
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-thiomorpholin-4-ylmethanone
CID 42384375

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid (CID 125118569) is (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2cc(Cl)ccc2OC2CCCC2)CCO1.
What is the InChIKey of (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid?
The InChIKey is CTHCGOVONXWRLL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20ClNO5/c18-11-5-6-14(24-12-3-1-2-4-12)13(9-11)16(20)19-7-8-23-15(10-19)17(21)22/h5-6,9,12,15H,1-4,7-8,10H2,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid?
(2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid has a molecular weight of 353.80 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(5-chloro-2-cyclopentyloxybenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 125118569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).