3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid

C16H19N3O3 — CID 124969004

IUPAC3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
SMILESCc1cnc([C@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)[nH]1
InChIInChI=1S/C16H19N3O3/c1-11-8-17-15(18-11)14-10-19(5-6-22-14)9-12-3-2-4-13(7-12)16(20)21/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,17,18)(H,20,21)/t14-/m1/s1
InChIKeyJFFYZEWZIZHNFK-CQSZACIVSA-N
MW301.35 g/mol
LogP1.99
Rot. Bonds4

About 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid

3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid (PubChem CID 124969004) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
PubChem CID124969004
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
SMILESCc1cnc([C@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)[nH]1
InChIInChI=1S/C16H19N3O3/c1-11-8-17-15(18-11)14-10-19(5-6-22-14)9-12-3-2-4-13(7-12)16(20)21/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,17,18)(H,20,21)/t14-/m1/s1
InChIKeyJFFYZEWZIZHNFK-CQSZACIVSA-N
XLogP1.99
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 155983471
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098
3-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]benzoic acid
CID 122034855
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124963019
3-[(2-benzylmorpholin-4-yl)methyl]benzoic acid
CID 122032440
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
3-[[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methyl]benzoic acid
CID 124998880
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
3-[[2-(2-aminoethyl)morpholin-4-yl]methyl]benzoic acid;dihydrochloride
CID 154906261

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
The IUPAC name of 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid (CID 124969004) is 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid.
What is the SMILES notation for 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
The canonical SMILES for 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid is Cc1cnc([C@H]2CN(Cc3cccc(C(=O)O)c3)CCO2)[nH]1.
What is the InChIKey of 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
The InChIKey is JFFYZEWZIZHNFK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-8-17-15(18-11)14-10-19(5-6-22-14)9-12-3-2-4-13(7-12)16(20)21/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,17,18)(H,20,21)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid?
3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid has a molecular weight of 301.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid is sourced from PubChem (CID 124969004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).