3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid

C14H20N2O3 — CID 117115891

IUPAC3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)c(N2CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-10-2-3-11(12(15)9-14(17)18)13(8-10)16-4-6-19-7-5-16/h2-3,8,12H,4-7,9,15H2,1H3,(H,17,18)
InChIKeyNJXSCBWQTDBKMA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.31
Rot. Bonds4

About 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid

3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid (PubChem CID 117115891) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
PubChem CID117115891
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)c(N2CCOCC2)c1
InChIInChI=1S/C14H20N2O3/c1-10-2-3-11(12(15)9-14(17)18)13(8-10)16-4-6-19-7-5-16/h2-3,8,12H,4-7,9,15H2,1H3,(H,17,18)
InChIKeyNJXSCBWQTDBKMA-UHFFFAOYSA-N
XLogP1.31
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117116014
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
methyl 2-hydroxy-2-(4-methyl-2-morpholin-4-ylphenyl)acetate
CID 117108710
4-(4-methyl-2-morpholin-4-ylphenyl)butanoic acid
CID 117108460
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanone
CID 117115575
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
4-methyl-2-(1,4-oxazepan-4-yl)benzoic acid
CID 62968020
(2S)-2-amino-2-(2,3-dimethyl-4-morpholin-4-ylphenyl)acetic acid
CID 66513297
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
CID 117379221
3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219
methyl 2-hydroxy-2-(5-methyl-2-morpholin-4-ylphenyl)acetate
CID 117417055
(4-methyl-2-morpholin-4-ylphenyl)methanamine
CID 62308441

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid (CID 117115891) is 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid is Cc1ccc(C(N)CC(=O)O)c(N2CCOCC2)c1.
What is the InChIKey of 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid?
The InChIKey is NJXSCBWQTDBKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-2-3-11(12(15)9-14(17)18)13(8-10)16-4-6-19-7-5-16/h2-3,8,12H,4-7,9,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid?
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 117115891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).