4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid

C18H23NO5 — CID 122146208

IUPAC4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C(OC2CCCC2)c2ccccc2)CCO1
InChIInChI=1S/C18H23NO5/c20-17(19-10-11-23-15(12-19)18(21)22)16(13-6-2-1-3-7-13)24-14-8-4-5-9-14/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,22)
InChIKeyZSUJEZXWVZCFOB-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.00
Rot. Bonds5

About 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid

4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid (PubChem CID 122146208) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
PubChem CID122146208
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Name4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)C(OC2CCCC2)c2ccccc2)CCO1
InChIInChI=1S/C18H23NO5/c20-17(19-10-11-23-15(12-19)18(21)22)16(13-6-2-1-3-7-13)24-14-8-4-5-9-14/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,22)
InChIKeyZSUJEZXWVZCFOB-UHFFFAOYSA-N
XLogP2.00
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2S)-2-cyclopentyloxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638949
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625
4-(2-methoxy-2-phenylacetyl)morpholine-2-carboxamide
CID 49417402
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
4-(2-phenyl-2-pyrazol-1-ylacetyl)morpholine-2-carboxylic acid
CID 119239723
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
methyl (2R)-2-cyclohexyloxy-2-phenylacetate
CID 45114259
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
4-(4,4,4-trifluoro-3-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119238821

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid (CID 122146208) is 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)C(OC2CCCC2)c2ccccc2)CCO1.
What is the InChIKey of 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid?
The InChIKey is ZSUJEZXWVZCFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c20-17(19-10-11-23-15(12-19)18(21)22)16(13-6-2-1-3-7-13)24-14-8-4-5-9-14/h1-3,6-7,14-16H,4-5,8-12H2,(H,21,22).
What are the key properties of 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid?
4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid has a molecular weight of 333.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 122146208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).