2-(4-benzylmorpholin-2-yl)acetic acid

C13H17NO3 — CID 4163696

IUPAC2-(4-benzylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H17NO3/c15-13(16)8-12-10-14(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyZYXIOXNUKBMPQJ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.36
Rot. Bonds4

About 2-(4-benzylmorpholin-2-yl)acetic acid

2-(4-benzylmorpholin-2-yl)acetic acid (PubChem CID 4163696) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-benzylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-benzylmorpholin-2-yl)acetic acid
PubChem CID4163696
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-benzylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C13H17NO3/c15-13(16)8-12-10-14(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
InChIKeyZYXIOXNUKBMPQJ-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
CID 2723880
Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate
CID 419705
4-Benzylmorpholine-2-carboxylic acid
CID 2776353
Ethyl 1-(4-Fluoro-benzyl)-piperidine-4-carboxylate
CID 764943
Ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 563051
Methyl 1-benzylpiperidine-4-carboxylate
CID 11436222
(S)-4-Benzylmorpholine-2-carboxylic acid
CID 736504
1-Benzylpiperidine-4-carboxylic acid
CID 4714983
2-(Benzylmethylamino)ethyl acetoacetate
CID 11776829
(3S,4R)-1-benzyl-4-hydroxypiperidine-3-carboxylic acid
CID 57707484
1-Benzyl-4-propionyloxypiperidine
CID 11959669

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-benzylmorpholin-2-yl)acetic acid (CID 4163696) is 2-(4-benzylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-benzylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-benzylmorpholin-2-yl)acetic acid is O=C(O)CC1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 2-(4-benzylmorpholin-2-yl)acetic acid?
The InChIKey is ZYXIOXNUKBMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(16)8-12-10-14(6-7-17-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16).
What are the key properties of 2-(4-benzylmorpholin-2-yl)acetic acid?
2-(4-benzylmorpholin-2-yl)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 4163696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).