4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid

C15H22N2O3 — CID 117116014

IUPAC4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
SMILESCc1ccc(C(N)CCC(=O)O)c(N2CCOCC2)c1
InChIInChI=1S/C15H22N2O3/c1-11-2-3-12(13(16)4-5-15(18)19)14(10-11)17-6-8-20-9-7-17/h2-3,10,13H,4-9,16H2,1H3,(H,18,19)
InChIKeyCKJJTTMOZXXBEL-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds5

About 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid

4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid (PubChem CID 117116014) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
PubChem CID117116014
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
SMILESCc1ccc(C(N)CCC(=O)O)c(N2CCOCC2)c1
InChIInChI=1S/C15H22N2O3/c1-11-2-3-12(13(16)4-5-15(18)19)14(10-11)17-6-8-20-9-7-17/h2-3,10,13H,4-9,16H2,1H3,(H,18,19)
InChIKeyCKJJTTMOZXXBEL-UHFFFAOYSA-N
XLogP1.70
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
CID 66513297
(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
CID 67452418
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441
4-amino-4-(2-cyclobutyloxy-5-methylphenyl)butanoic acid
CID 117412986

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
The IUPAC name of 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid (CID 117116014) is 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid is Cc1ccc(C(N)CCC(=O)O)c(N2CCOCC2)c1.
What is the InChIKey of 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
The InChIKey is CKJJTTMOZXXBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-2-3-12(13(16)4-5-15(18)19)14(10-11)17-6-8-20-9-7-17/h2-3,10,13H,4-9,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid?
4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid is sourced from PubChem (CID 117116014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).