benzyl 2-morpholin-2-ylacetate

C13H17NO3 — CID 66434624

IUPACbenzyl 2-morpholin-2-ylacetate
SMILESO=C(CC1CNCCO1)OCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(8-12-9-14-6-7-16-12)17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyKKEYDLABAKFZIQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.11
Rot. Bonds4

About benzyl 2-morpholin-2-ylacetate

benzyl 2-morpholin-2-ylacetate (PubChem CID 66434624) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is benzyl 2-morpholin-2-ylacetate.

Molecular Properties

Compound Namebenzyl 2-morpholin-2-ylacetate
PubChem CID66434624
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebenzyl 2-morpholin-2-ylacetate
SMILESO=C(CC1CNCCO1)OCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-13(8-12-9-14-6-7-16-12)17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2
InChIKeyKKEYDLABAKFZIQ-UHFFFAOYSA-N
XLogP1.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-morpholin-2-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[[(2R)-morpholin-2-yl]methyl]carbamate
CID 53338708
2-morpholin-2-yl-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119669321
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
cyclopropylmethyl 2-morpholin-2-ylacetate
CID 66434430
(E)-but-2-enedioic acid;bis(2-(phenylmethoxymethoxymethyl)morpholine)
CID 6449225
morpholin-2-ylmethyl benzoate;hydrochloride
CID 19777235
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
2-morpholin-2-yl-1-(4-phenylphenyl)ethanone
CID 116586201
2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
butyl 2-morpholin-2-ylacetate
CID 66434235

Frequently Asked Questions

What is the IUPAC name of benzyl 2-morpholin-2-ylacetate?
The IUPAC name of benzyl 2-morpholin-2-ylacetate (CID 66434624) is benzyl 2-morpholin-2-ylacetate.
What is the SMILES notation for benzyl 2-morpholin-2-ylacetate?
The canonical SMILES for benzyl 2-morpholin-2-ylacetate is O=C(CC1CNCCO1)OCc1ccccc1.
What is the InChIKey of benzyl 2-morpholin-2-ylacetate?
The InChIKey is KKEYDLABAKFZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-13(8-12-9-14-6-7-16-12)17-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2.
What are the key properties of benzyl 2-morpholin-2-ylacetate?
benzyl 2-morpholin-2-ylacetate has a molecular weight of 235.28 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-morpholin-2-ylacetate is sourced from PubChem (CID 66434624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).