2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid

C15H17N3O3 — CID 91591906

IUPAC2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
SMILESCn1ccnc1-c1ccc(C2CN(C(=O)O)CCO2)cc1
InChIInChI=1S/C15H17N3O3/c1-17-7-6-16-14(17)12-4-2-11(3-5-12)13-10-18(15(19)20)8-9-21-13/h2-7,13H,8-10H2,1H3,(H,19,20)
InChIKeyBSWOGMCIBTXSON-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.14
Rot. Bonds2

About 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid

2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid (PubChem CID 91591906) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
PubChem CID91591906
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid
SMILESCn1ccnc1-c1ccc(C2CN(C(=O)O)CCO2)cc1
InChIInChI=1S/C15H17N3O3/c1-17-7-6-16-14(17)12-4-2-11(3-5-12)13-10-18(15(19)20)8-9-21-13/h2-7,13H,8-10H2,1H3,(H,19,20)
InChIKeyBSWOGMCIBTXSON-UHFFFAOYSA-N
XLogP2.14
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylate
CID 58097888
2-(4-aminophenyl)morpholine-4-carboxylic acid
CID 66705901
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
(2S)-2-(4-cyanophenyl)morpholine-4-carboxylic acid
CID 66862110
N-cyclopentyl-2-(4-methylphenyl)morpholine-4-carboxamide
CID 121134941
(2R)-2-(4-phenylmethoxyphenyl)morpholine-4-carboxylic acid
CID 68617082
4-[(2S)-4-acetylmorpholin-2-yl]benzoic acid
CID 167741837
(2S)-2-(3,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 99773840
1-[(2R)-2-[4-(2-methyl-3-pyridinyl)phenyl]morpholin-4-yl]prop-2-en-1-one
CID 172888077
2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 170722933
(2S)-2-[4-[(5-ethyl-4-methyl-1H-pyrazole-3-carbonyl)amino]phenyl]morpholine-4-carboxylic acid
CID 130429737
2-[(3S,4R)-3-amino-4-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 166274467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid (CID 91591906) is 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid is Cn1ccnc1-c1ccc(C2CN(C(=O)O)CCO2)cc1.
What is the InChIKey of 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid?
The InChIKey is BSWOGMCIBTXSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-7-6-16-14(17)12-4-2-11(3-5-12)13-10-18(15(19)20)8-9-21-13/h2-7,13H,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid?
2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylimidazol-2-yl)phenyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 91591906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).