(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid

C14H20N2O3 — CID 131873298

IUPAC(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
SMILESN[C@@H](CC(=O)O)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12(10-14(17)18)9-11-1-3-13(4-2-11)16-5-7-19-8-6-16/h1-4,12H,5-10,15H2,(H,17,18)/t12-/m1/s1
InChIKeyRFAUOMKKSWVYBQ-GFCCVEGCSA-N
MW264.32 g/mol
LogP0.87
Rot. Bonds5

About (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid

(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid (PubChem CID 131873298) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
PubChem CID131873298
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid
SMILESN[C@@H](CC(=O)O)Cc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c15-12(10-14(17)18)9-11-1-3-13(4-2-11)16-5-7-19-8-6-16/h1-4,12H,5-10,15H2,(H,17,18)/t12-/m1/s1
InChIKeyRFAUOMKKSWVYBQ-GFCCVEGCSA-N
XLogP0.87
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

Melphalan
CID 460612
Melphalan Hydrochloride
CID 9927978
Sarcolysin
CID 4053
D-Melphalan
CID 20189
alpha-Amino-4-(bis(2-chloroethyl)amino)benzenebutanoic acid
CID 19389
3-[4-(Benzylamino)phenyl]propanoic acid
CID 23346507
Sarcolysin hydrochloride
CID 12312742
Acetic acid, 4-piperidinophenyl-
CID 38363
L-Phenylalanine, 4-(1-piperidinyl)-, beta-
CID 3054972
beta-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
CID 16052
Melphalan ethyl ester hydrochloride
CID 88119
Medphalan hydrochloride
CID 57330602

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid?
The IUPAC name of (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid (CID 131873298) is (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid.
What is the SMILES notation for (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid?
The canonical SMILES for (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid is N[C@@H](CC(=O)O)Cc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid?
The InChIKey is RFAUOMKKSWVYBQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12(10-14(17)18)9-11-1-3-13(4-2-11)16-5-7-19-8-6-16/h1-4,12H,5-10,15H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid?
(3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-(4-morpholin-4-ylphenyl)butanoic acid is sourced from PubChem (CID 131873298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).