(2S)-4-benzylmorpholine-2-carboxylic acid

C12H15NO3 — CID 736504

IUPAC(2S)-4-benzylmorpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyUJDWIUOGWSDEFP-NSHDSACASA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds3

About (2S)-4-benzylmorpholine-2-carboxylic acid

(2S)-4-benzylmorpholine-2-carboxylic acid (PubChem CID 736504) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (2S)-4-benzylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-benzylmorpholine-2-carboxylic acid
PubChem CID736504
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(2S)-4-benzylmorpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyUJDWIUOGWSDEFP-NSHDSACASA-N
XLogP0.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzylmorpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-benzylmorpholine-2-carboxylic acid (CID 736504) is (2S)-4-benzylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-benzylmorpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-benzylmorpholine-2-carboxylic acid is O=C(O)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2S)-4-benzylmorpholine-2-carboxylic acid?
The InChIKey is UJDWIUOGWSDEFP-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-4-benzylmorpholine-2-carboxylic acid?
(2S)-4-benzylmorpholine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzylmorpholine-2-carboxylic acid is sourced from PubChem (CID 736504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).