(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid

C15H22N2O3 — CID 118141554

IUPAC(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid
SMILESCC(C)(C)[C@]1(c2ccc(N)cc2)CN(C(=O)O)CCO1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)15(11-4-6-12(16)7-5-11)10-17(13(18)19)8-9-20-15/h4-7H,8-10,16H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyYNNXMNGULQADCR-OAHLLOKOSA-N
MW278.35 g/mol
LogP2.52
Rot. Bonds1

About (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid

(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid (PubChem CID 118141554) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid
PubChem CID118141554
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid
SMILESCC(C)(C)[C@]1(c2ccc(N)cc2)CN(C(=O)O)CCO1
InChIInChI=1S/C15H22N2O3/c1-14(2,3)15(11-4-6-12(16)7-5-11)10-17(13(18)19)8-9-20-15/h4-7H,8-10,16H2,1-3H3,(H,18,19)/t15-/m1/s1
InChIKeyYNNXMNGULQADCR-OAHLLOKOSA-N
XLogP2.52
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid?
The IUPAC name of (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid (CID 118141554) is (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid.
What is the SMILES notation for (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid?
The canonical SMILES for (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid is CC(C)(C)[C@]1(c2ccc(N)cc2)CN(C(=O)O)CCO1.
What is the InChIKey of (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid?
The InChIKey is YNNXMNGULQADCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-14(2,3)15(11-4-6-12(16)7-5-11)10-17(13(18)19)8-9-20-15/h4-7H,8-10,16H2,1-3H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid?
(2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-aminophenyl)-2-tert-butylmorpholine-4-carboxylic acid is sourced from PubChem (CID 118141554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).