4-(1-phenylpropyl)morpholine-2-carboxylic acid

C14H19NO3 — CID 65067366

IUPAC4-(1-phenylpropyl)morpholine-2-carboxylic acid
SMILESCCC(c1ccccc1)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H19NO3/c1-2-12(11-6-4-3-5-7-11)15-8-9-18-13(10-15)14(16)17/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChIKeyKCMNIKIPXYCVRL-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds4

About 4-(1-phenylpropyl)morpholine-2-carboxylic acid

4-(1-phenylpropyl)morpholine-2-carboxylic acid (PubChem CID 65067366) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(1-phenylpropyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenylpropyl)morpholine-2-carboxylic acid
PubChem CID65067366
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-(1-phenylpropyl)morpholine-2-carboxylic acid
SMILESCCC(c1ccccc1)N1CCOC(C(=O)O)C1
InChIInChI=1S/C14H19NO3/c1-2-12(11-6-4-3-5-7-11)15-8-9-18-13(10-15)14(16)17/h3-7,12-13H,2,8-10H2,1H3,(H,16,17)
InChIKeyKCMNIKIPXYCVRL-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-phenylbutyl)morpholine-2-carboxylic acid
CID 65067118
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
CID 65067615
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
4-[1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 65067070
(2S)-4-[(1R)-1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 129371945
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
CID 87349860
2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-phenylpropyl)morpholine-2-carboxylic acid (CID 65067366) is 4-(1-phenylpropyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenylpropyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-phenylpropyl)morpholine-2-carboxylic acid is CCC(c1ccccc1)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(1-phenylpropyl)morpholine-2-carboxylic acid?
The InChIKey is KCMNIKIPXYCVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-12(11-6-4-3-5-7-11)15-8-9-18-13(10-15)14(16)17/h3-7,12-13H,2,8-10H2,1H3,(H,16,17).
What are the key properties of 4-(1-phenylpropyl)morpholine-2-carboxylic acid?
4-(1-phenylpropyl)morpholine-2-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65067366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).