2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid

C15H19NO3 — CID 79981052

IUPAC2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1cccc(C2CC2)c1)N1CCOCC1
InChIInChI=1S/C15H19NO3/c17-15(18)14(16-6-8-19-9-7-16)13-3-1-2-12(10-13)11-4-5-11/h1-3,10-11,14H,4-9H2,(H,17,18)
InChIKeyXJFAYZCKCWUIFG-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.02
Rot. Bonds4

About 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid

2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid (PubChem CID 79981052) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
PubChem CID79981052
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1cccc(C2CC2)c1)N1CCOCC1
InChIInChI=1S/C15H19NO3/c17-15(18)14(16-6-8-19-9-7-16)13-3-1-2-12(10-13)11-4-5-11/h1-3,10-11,14H,4-9H2,(H,17,18)
InChIKeyXJFAYZCKCWUIFG-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-2-(3-cyclopropylphenyl)acetic acid
CID 79980420
2-(3-cyclopropylphenyl)-2-piperazin-1-ylacetic acid
CID 79984509
3-amino-2-[3-(oxan-4-yl)phenyl]propanoic acid
CID 117376394
4-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244727
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317
(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
CID 125134200
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-hydroxy-2-[3-(4-methylcyclohexyl)phenyl]acetic acid
CID 117374049
2-(4-cyclopropylphenyl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 79980662

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid (CID 79981052) is 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid is O=C(O)C(c1cccc(C2CC2)c1)N1CCOCC1.
What is the InChIKey of 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid?
The InChIKey is XJFAYZCKCWUIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15(18)14(16-6-8-19-9-7-16)13-3-1-2-12(10-13)11-4-5-11/h1-3,10-11,14H,4-9H2,(H,17,18).
What are the key properties of 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid?
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid has a molecular weight of 261.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 79981052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).