2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid

C19H21NO3 — CID 56899472

IUPAC2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(22)12-17-14-23-11-10-20(17)13-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,21,22)
InChIKeySVILCTOUCPBYIS-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.03
Rot. Bonds5

About 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid

2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid (PubChem CID 56899472) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid
PubChem CID56899472
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1Cc1ccccc1-c1ccccc1
InChIInChI=1S/C19H21NO3/c21-19(22)12-17-14-23-11-10-20(17)13-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,21,22)
InChIKeySVILCTOUCPBYIS-UHFFFAOYSA-N
XLogP3.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid (CID 56899472) is 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1Cc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is SVILCTOUCPBYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(22)12-17-14-23-11-10-20(17)13-16-8-4-5-9-18(16)15-6-2-1-3-7-15/h1-9,17H,10-14H2,(H,21,22).
What are the key properties of 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid?
2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-phenylphenyl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 56899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).