4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid

C14H23NO5 — CID 119239391

IUPAC4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
SMILESCCC(OC1CCCC1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-2-11(20-10-5-3-4-6-10)13(16)15-7-8-19-12(9-15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyIYWVWMJGBUNASN-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds5

About 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid

4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid (PubChem CID 119239391) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
PubChem CID119239391
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
SMILESCCC(OC1CCCC1)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H23NO5/c1-2-11(20-10-5-3-4-6-10)13(16)15-7-8-19-12(9-15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyIYWVWMJGBUNASN-UHFFFAOYSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
4-(2-cyclopentyloxy-2-phenylacetyl)morpholine-2-carboxylic acid
CID 122146208
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
(2S)-4-[(2R)-2-(2-methylphenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125148922
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119375428
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid (CID 119239391) is 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid is CCC(OC1CCCC1)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid?
The InChIKey is IYWVWMJGBUNASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-2-11(20-10-5-3-4-6-10)13(16)15-7-8-19-12(9-15)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid?
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119239391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).