(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid

C14H20N2O3 — CID 68524522

IUPAC(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid
SMILESN[C@H](Cc1ccccc1)CN1CCOC[C@H]1C(=O)O
InChIInChI=1S/C14H20N2O3/c15-12(8-11-4-2-1-3-5-11)9-16-6-7-19-10-13(16)14(17)18/h1-5,12-13H,6-10,15H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyZOONHKLFCIXUJO-OLZOCXBDSA-N
MW264.32 g/mol
LogP0.34
Rot. Bonds5

About (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid

(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid (PubChem CID 68524522) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid
PubChem CID68524522
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid
SMILESN[C@H](Cc1ccccc1)CN1CCOC[C@H]1C(=O)O
InChIInChI=1S/C14H20N2O3/c15-12(8-11-4-2-1-3-5-11)9-16-6-7-19-10-13(16)14(17)18/h1-5,12-13H,6-10,15H2,(H,17,18)/t12-,13+/m1/s1
InChIKeyZOONHKLFCIXUJO-OLZOCXBDSA-N
XLogP0.34
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 ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid?
The IUPAC name of (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid (CID 68524522) is (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid is N[C@H](Cc1ccccc1)CN1CCOC[C@H]1C(=O)O.
What is the InChIKey of (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid?
The InChIKey is ZOONHKLFCIXUJO-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-12(8-11-4-2-1-3-5-11)9-16-6-7-19-10-13(16)14(17)18/h1-5,12-13H,6-10,15H2,(H,17,18)/t12-,13+/m1/s1.
What are the key properties of (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid?
(3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(2R)-2-amino-3-phenylpropyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 68524522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).