(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid

C14H19NO4 — CID 27378601

IUPAC(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
SMILESCCOc1ccc([C@@H](C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO4/c1-2-19-12-5-3-11(4-6-12)13(14(16)17)15-7-9-18-10-8-15/h3-6,13H,2,7-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyUSXAMLQIHVKPAX-ZDUSSCGKSA-N
MW265.31 g/mol
LogP1.54
Rot. Bonds5

About (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid

(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid (PubChem CID 27378601) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
PubChem CID27378601
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
SMILESCCOc1ccc([C@@H](C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO4/c1-2-19-12-5-3-11(4-6-12)13(14(16)17)15-7-9-18-10-8-15/h3-6,13H,2,7-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyUSXAMLQIHVKPAX-ZDUSSCGKSA-N
XLogP1.54
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-ethoxyphenyl)-2-piperidin-1-ylacetic acid
CID 27378597
2-[4-(diethylamino)phenyl]-2-morpholin-4-ylacetic acid
CID 84751366
2-piperidin-1-yl-2-(4-propoxyphenyl)acetic acid
CID 62496811
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-phenoxyacetamide
CID 112503607
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
2-(4-methylpiperazin-1-yl)-2-(4-pentoxyphenyl)acetic acid
CID 83978656
2-(4-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 55152004
2-cyclopropyl-N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 110621760
1-(4-ethoxyphenyl)-3-morpholin-4-yl-2-phenylpropan-1-one chloride
CID 53347221
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid (CID 27378601) is (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid is CCOc1ccc([C@@H](C(=O)O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is USXAMLQIHVKPAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-12-5-3-11(4-6-12)13(14(16)17)15-7-9-18-10-8-15/h3-6,13H,2,7-10H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid?
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 27378601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).