(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid

C14H19NO4 — CID 8022836

IUPAC(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
SMILESCOc1ccc([C@@H](CC(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO4/c1-18-12-4-2-11(3-5-12)13(10-14(16)17)15-6-8-19-9-7-15/h2-5,13H,6-10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyADQKRDLOUVYZMU-CYBMUJFWSA-N
MW265.31 g/mol
LogP1.54
Rot. Bonds5

About (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid

(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid (PubChem CID 8022836) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
PubChem CID8022836
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
SMILESCOc1ccc([C@@H](CC(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO4/c1-18-12-4-2-11(3-5-12)13(10-14(16)17)15-6-8-19-9-7-15/h2-5,13H,6-10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyADQKRDLOUVYZMU-CYBMUJFWSA-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

3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64527154
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 43006637
3-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 64526958
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
ethyl N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamate
CID 112502614
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylacetamide
CID 92642329
4-(4-methylphenyl)-4-morpholin-4-ylbutan-2-one
CID 82130931
4-(4-methoxyphenyl)-4-morpholin-4-ylbutan-1-amine
CID 112501198
3-(3-bromo-4-methylphenyl)-3-morpholin-4-ylpropanoic acid
CID 105403444
2-benzhydryloxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]acetamide
CID 55358314

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid (CID 8022836) is (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid is COc1ccc([C@@H](CC(=O)O)N2CCOCC2)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid?
The InChIKey is ADQKRDLOUVYZMU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-4-2-11(3-5-12)13(10-14(16)17)15-6-8-19-9-7-15/h2-5,13H,6-10H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid?
(3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic 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 (3R)-3-(4-methoxyphenyl)-3-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 8022836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).