2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid

C14H18ClNO4 — CID 72838657

IUPAC2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid
SMILESCCOc1ccc(Cl)cc1C(C(=O)O)N1CCOCC1
InChIInChI=1S/C14H18ClNO4/c1-2-20-12-4-3-10(15)9-11(12)13(14(17)18)16-5-7-19-8-6-16/h3-4,9,13H,2,5-8H2,1H3,(H,17,18)
InChIKeyZIDXXCMFTFMQHD-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.20
Rot. Bonds5

About 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid

2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid (PubChem CID 72838657) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid
PubChem CID72838657
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid
SMILESCCOc1ccc(Cl)cc1C(C(=O)O)N1CCOCC1
InChIInChI=1S/C14H18ClNO4/c1-2-20-12-4-3-10(15)9-11(12)13(14(17)18)16-5-7-19-8-6-16/h3-4,9,13H,2,5-8H2,1H3,(H,17,18)
InChIKeyZIDXXCMFTFMQHD-UHFFFAOYSA-N
XLogP2.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-(((3S,5R)-3,5-dimethyl-4-(2-phenylacetyl)piperazin-1-yl)methyl)phenoxy)acetic acid
CID 11604412
(S)-2-(4-chloro-2-((3-methyl-4-(2-phenylacetyl)piperazin-1-yl)methyl)phenoxy)acetic acid
CID 11640298
2-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)acetic acid
CID 44431527
(2S)-2-[4-[[4-(4-chloro-2-methylphenoxy)piperidin-1-yl]methyl]piperidin-1-yl]-3-(4-fluorophenyl)propanoic acid
CID 66615678
2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]-2-phenylacetic acid
CID 68849581
2-[(2S)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]-2-phenylacetic acid
CID 71462102
Ethyl 1-(5-chloro-2-hydroxybenzyl)-2-piperidinecarboxylate
CID 2845758
2-[[(2S)-1-[4-[(3-chlorophenyl)methoxy]phenyl]-4-methoxy-4-oxobutan-2-yl]-methylamino]acetic acid
CID 117939806
(4-Fluoro-2-methoxyphenyl)[4-(3-fluorophenoxy)piperidin-1-YL]acetic acid
CID 72852921
2-(2-Ethoxyphenyl)-2-[methyl(oxan-4-ylmethyl)amino]acetic acid
CID 72855241
(5-Chloro-2-methoxyphenyl)(thiomorpholin-4-YL)acetic acid
CID 72902219
(5-Chloro-2-methoxyphenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72915303

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid (CID 72838657) is 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid is CCOc1ccc(Cl)cc1C(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is ZIDXXCMFTFMQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-2-20-12-4-3-10(15)9-11(12)13(14(17)18)16-5-7-19-8-6-16/h3-4,9,13H,2,5-8H2,1H3,(H,17,18).
What are the key properties of 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 299.75 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 72838657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).