3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid

C17H24N2O4 — CID 119362755

IUPAC3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H24N2O4/c1-18(8-7-17(21)22)16(20)11-15-13-19(9-10-23-15)12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,21,22)
InChIKeyJSZXJPABKBPLCK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.21
Rot. Bonds7

About 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid

3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid (PubChem CID 119362755) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
PubChem CID119362755
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H24N2O4/c1-18(8-7-17(21)22)16(20)11-15-13-19(9-10-23-15)12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,21,22)
InChIKeyJSZXJPABKBPLCK-UHFFFAOYSA-N
XLogP1.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylmorpholin-2-yl)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 56794454
2-[(2S)-4-benzylmorpholin-2-yl]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 95633368
2-(4-benzylmorpholin-2-yl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 91842855
N-(1-aminopropan-2-yl)-2-(4-benzylmorpholin-2-yl)-N-methylacetamide
CID 119582704
2-(4-benzylmorpholin-2-yl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 111596023
N-(2-aminoethyl)-2-(4-benzylmorpholin-2-yl)acetamide
CID 119383303
(2R)-2-[[2-[(2S)-4-benzylmorpholin-2-yl]acetyl]amino]-3-methylbutanoic acid
CID 124681649
(2S)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829898
(2R)-2-amino-N-[(4-benzylmorpholin-2-yl)methyl]propanamide
CID 119829876
2-[4-[(4-methylphenyl)methyl]morpholin-2-yl]acetic acid
CID 66433866
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid (CID 119362755) is 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is JSZXJPABKBPLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-18(8-7-17(21)22)16(20)11-15-13-19(9-10-23-15)12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,21,22).
What are the key properties of 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid?
3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-benzylmorpholin-2-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119362755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).