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

C15H21NO3 — CID 65067118

IUPAC4-(1-phenylbutyl)morpholine-2-carboxylic acid
SMILESCCCC(c1ccccc1)N1CCOC(C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-2-6-13(12-7-4-3-5-8-12)16-9-10-19-14(11-16)15(17)18/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,18)
InChIKeyHAALGGNHGYHNRT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.31
Rot. Bonds5

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

4-(1-phenylbutyl)morpholine-2-carboxylic acid (PubChem CID 65067118) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(1-phenylbutyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-phenylbutyl)morpholine-2-carboxylic acid
PubChem CID65067118
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-(1-phenylbutyl)morpholine-2-carboxylic acid
SMILESCCCC(c1ccccc1)N1CCOC(C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-2-6-13(12-7-4-3-5-8-12)16-9-10-19-14(11-16)15(17)18/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,18)
InChIKeyHAALGGNHGYHNRT-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
CID 65067615
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
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
2-(2-ethylmorpholin-4-yl)-N-methyl-2-phenylethanamine
CID 62433539
(2R)-4-phenylmorpholine-2-carboxylic acid
CID 95804269
5-morpholin-4-yl-5-phenylpentan-2-one
CID 67114614

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbutyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(1-phenylbutyl)morpholine-2-carboxylic acid (CID 65067118) is 4-(1-phenylbutyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(1-phenylbutyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(1-phenylbutyl)morpholine-2-carboxylic acid is CCCC(c1ccccc1)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-(1-phenylbutyl)morpholine-2-carboxylic acid?
The InChIKey is HAALGGNHGYHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-6-13(12-7-4-3-5-8-12)16-9-10-19-14(11-16)15(17)18/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,18).
What are the key properties of 4-(1-phenylbutyl)morpholine-2-carboxylic acid?
4-(1-phenylbutyl)morpholine-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbutyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 65067118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).