2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid

C21H23NO5 — CID 56915525

IUPAC2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H23NO5/c23-20(22-10-11-26-15-18(22)13-21(24)25)12-17-8-4-5-9-19(17)27-14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,25)
InChIKeyBHCPAQWUTJFFSY-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.51
Rot. Bonds7

About 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid

2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid (PubChem CID 56915525) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
PubChem CID56915525
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)Cc1ccccc1OCc1ccccc1
InChIInChI=1S/C21H23NO5/c23-20(22-10-11-26-15-18(22)13-21(24)25)12-17-8-4-5-9-19(17)27-14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,25)
InChIKeyBHCPAQWUTJFFSY-UHFFFAOYSA-N
XLogP2.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
2-[(3R)-4-(2-pyridin-3-ylacetyl)morpholin-3-yl]acetic acid
CID 99622343
2-[(3S)-4-(6-phenylmethoxypyridine-3-carbonyl)morpholin-3-yl]acetic acid
CID 129469980
2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95729743
2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 56917100
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3R)-4-[2-(1-benzylpiperidin-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 124751060
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
(1S,8R)-9-[2-(2-phenylmethoxyphenyl)acetyl]-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 155509837
1-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-2-(2-phenylmethoxyphenyl)ethanone
CID 154812092
2-[(3R)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]morpholin-3-yl]acetic acid
CID 129469907
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid (CID 56915525) is 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)Cc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid?
The InChIKey is BHCPAQWUTJFFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c23-20(22-10-11-26-15-18(22)13-21(24)25)12-17-8-4-5-9-19(17)27-14-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,24,25).
What are the key properties of 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid?
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56915525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).