2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid

C12H14ClNO3 — CID 6484114

IUPAC2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)
InChIKeyJPMCHPNNLFZQMS-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid

2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid (PubChem CID 6484114) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid
PubChem CID6484114
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16)
InChIKeyJPMCHPNNLFZQMS-UHFFFAOYSA-N
XLogP1.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-(4-chlorophenyl)-2-piperidin-1-ylpropanoate
CID 24988642
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
methyl (2S)-3-(4-chlorophenyl)-2-(dibenzylamino)propanoate
CID 168289633
2-(2-Methylpiperidin-1-yl)-2-phenylacetic acid hydrochloride
CID 16189438
Bietamiverine Hydrochloride
CID 72063
Ethyl alpha-phenyl-1-piperidineacetate
CID 202135
Clopidogrel endo thiol metabolite
CID 165361851
1-(Piperidin-1-yl)propan-2-yl (4-chlorophenyl)acetate
CID 646165
(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid
CID 341212

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid (CID 6484114) is 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid is O=C(O)C(c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is JPMCHPNNLFZQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-3-1-9(2-4-10)11(12(15)16)14-5-7-17-8-6-14/h1-4,11H,5-8H2,(H,15,16).
What are the key properties of 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid?
2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 255.70 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 6484114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).