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

C13H18N2O3 — CID 117379221

IUPAC3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c14-12(9-13(16)17)10-2-1-3-11(8-10)15-4-6-18-7-5-15/h1-3,8,12H,4-7,9,14H2,(H,16,17)
InChIKeySQBIMIABRWKEJF-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.00
Rot. Bonds4

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

3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid (PubChem CID 117379221) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
PubChem CID117379221
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(N2CCOCC2)c1
InChIInChI=1S/C13H18N2O3/c14-12(9-13(16)17)10-2-1-3-11(8-10)15-4-6-18-7-5-15/h1-3,8,12H,4-7,9,14H2,(H,16,17)
InChIKeySQBIMIABRWKEJF-UHFFFAOYSA-N
XLogP1.00
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-morpholin-4-ylphenyl)ethylcarbamic acid
CID 22605465
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
CID 131873298
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
3-amino-3-(4-methyl-2-morpholin-4-ylphenyl)propanoic acid
CID 117115891
4-amino-4-[3-(4-propan-2-ylpiperazin-1-yl)phenyl]butanoic acid
CID 117490854
3-amino-3-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]propanoic acid
CID 117481323
1-(3-morpholin-4-ylphenyl)ethanamine;(E)-N-[1-(3-morpholin-4-ylphenyl)propyl]-3-phenylprop-2-enamide
CID 161134519
3,4-dihydroxy-4-(3-piperidin-1-ylphenyl)butanoic acid
CID 171878501
3-amino-4-(4-morpholin-4-ylanilino)-4-oxobutanoic acid
CID 64894969

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid (CID 117379221) is 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid is NC(CC(=O)O)c1cccc(N2CCOCC2)c1.
What is the InChIKey of 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid?
The InChIKey is SQBIMIABRWKEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-12(9-13(16)17)10-2-1-3-11(8-10)15-4-6-18-7-5-15/h1-3,8,12H,4-7,9,14H2,(H,16,17).
What are the key properties of 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid?
3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-morpholin-4-ylphenyl)propanoic acid is sourced from PubChem (CID 117379221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).