2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid

C21H25NO4 — CID 95729743

IUPAC2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1Cc1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H25NO4/c23-21(24)14-19-16-25-13-11-22(19)15-18-8-4-5-9-20(18)26-12-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,24)/t19-/m1/s1
InChIKeyRLOTZQHXKSQQEX-LJQANCHMSA-N
MW355.43 g/mol
LogP2.98
Rot. Bonds8

About 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid

2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid (PubChem CID 95729743) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
PubChem CID95729743
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)C[C@@H]1COCCN1Cc1ccccc1OCCc1ccccc1
InChIInChI=1S/C21H25NO4/c23-21(24)14-19-16-25-13-11-22(19)15-18-8-4-5-9-20(18)26-12-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,24)/t19-/m1/s1
InChIKeyRLOTZQHXKSQQEX-LJQANCHMSA-N
XLogP2.98
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 56917100
2-[4-[2-(2-phenylmethoxyphenyl)acetyl]morpholin-3-yl]acetic acid
CID 56915525
2-[(3S)-4-[(1-methyl-2-oxoquinolin-3-yl)methyl]morpholin-3-yl]acetic acid
CID 95716426
2-[(3R)-4-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]morpholin-3-yl]acetic acid
CID 95718552
2-[4-[(4-bromo-2-chlorophenyl)methyl]morpholin-3-yl]acetic acid
CID 113471103
2-[4-(9H-fluoren-2-ylmethyl)morpholin-3-yl]acetic acid
CID 56913375
2-[(3R)-4-[(2-pyrrolidin-1-ylpyrimidin-5-yl)methyl]morpholin-3-yl]acetic acid
CID 95726395
2-[4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]morpholin-3-yl]acetic acid
CID 56912179
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[1-[[2-(2-methoxyethoxy)phenyl]methyl]-3-oxopiperazin-2-yl]acetic acid
CID 54848246

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid (CID 95729743) is 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid is O=C(O)C[C@@H]1COCCN1Cc1ccccc1OCCc1ccccc1.
What is the InChIKey of 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
The InChIKey is RLOTZQHXKSQQEX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25NO4/c23-21(24)14-19-16-25-13-11-22(19)15-18-8-4-5-9-20(18)26-12-10-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,23,24)/t19-/m1/s1.
What are the key properties of 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid?
2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid has a molecular weight of 355.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-[[2-(2-phenylethoxy)phenyl]methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 95729743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).