4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid

C21H24N2O4 — CID 124703826

IUPAC4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
SMILESO=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H24N2O4/c24-20(22-13-16-6-8-18(9-7-16)21(25)26)12-19-15-23(10-11-27-19)14-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)(H,25,26)/t19-/m1/s1
InChIKeyNXRNUQGYGXJDJW-LJQANCHMSA-N
MW368.43 g/mol
LogP2.29
Rot. Bonds7

About 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid

4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid (PubChem CID 124703826) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
PubChem CID124703826
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid
SMILESO=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C21H24N2O4/c24-20(22-13-16-6-8-18(9-7-16)21(25)26)12-19-15-23(10-11-27-19)14-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)(H,25,26)/t19-/m1/s1
InChIKeyNXRNUQGYGXJDJW-LJQANCHMSA-N
XLogP2.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 71991420
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916
2-(4-benzylmorpholin-2-yl)-N-(3-hydroxybutyl)acetamide
CID 111539052
2-(4-benzylmorpholin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide
CID 136512300
2-(4-benzylmorpholin-2-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 118769797
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
N-(3-amino-2-methylpropyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119995447
2-(4-benzylmorpholin-2-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119620021
2-(4-benzylmorpholin-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111540025
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
4-[(4-benzylmorpholin-2-yl)methoxy]benzoic acid
CID 67836991

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid (CID 124703826) is 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid is O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid?
The InChIKey is NXRNUQGYGXJDJW-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(22-13-16-6-8-18(9-7-16)21(25)26)12-19-15-23(10-11-27-19)14-17-4-2-1-3-5-17/h1-9,19H,10-15H2,(H,22,24)(H,25,26)/t19-/m1/s1.
What are the key properties of 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid?
4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid has a molecular weight of 368.43 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(2R)-4-benzylmorpholin-2-yl]acetyl]amino]methyl]benzoic acid is sourced from PubChem (CID 124703826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).