butyl 2-morpholin-2-ylacetate

C10H19NO3 — CID 66434235

IUPACbutyl 2-morpholin-2-ylacetate
SMILESCCCCOC(=O)CC1CNCCO1
InChIInChI=1S/C10H19NO3/c1-2-3-5-14-10(12)7-9-8-11-4-6-13-9/h9,11H,2-8H2,1H3
InChIKeyCTJLXXCDHJOYDV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds5

About butyl 2-morpholin-2-ylacetate

butyl 2-morpholin-2-ylacetate (PubChem CID 66434235) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is butyl 2-morpholin-2-ylacetate.

Molecular Properties

Compound Namebutyl 2-morpholin-2-ylacetate
PubChem CID66434235
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namebutyl 2-morpholin-2-ylacetate
SMILESCCCCOC(=O)CC1CNCCO1
InChIInChI=1S/C10H19NO3/c1-2-3-5-14-10(12)7-9-8-11-4-6-13-9/h9,11H,2-8H2,1H3
InChIKeyCTJLXXCDHJOYDV-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopropylmethyl 2-morpholin-2-ylacetate
CID 66434430
1-morpholin-2-ylbutan-2-one
CID 116586154
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
hexyl 2-(oxolan-2-yl)acetate
CID 78876080
benzyl 2-morpholin-2-ylacetate
CID 66434624
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
1-ethoxypropan-2-yl 2-morpholin-2-ylacetate
CID 103488968
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
3-methyl-1-morpholin-2-ylbutan-2-one
CID 116586136
2-morpholin-2-ylacetohydrazide
CID 66428542
N-(1-butylpiperidin-4-yl)-2-morpholin-2-ylacetamide
CID 66434560
(3-ethylcyclohexyl) 2-morpholin-2-ylacetate
CID 66433853

Frequently Asked Questions

What is the IUPAC name of butyl 2-morpholin-2-ylacetate?
The IUPAC name of butyl 2-morpholin-2-ylacetate (CID 66434235) is butyl 2-morpholin-2-ylacetate.
What is the SMILES notation for butyl 2-morpholin-2-ylacetate?
The canonical SMILES for butyl 2-morpholin-2-ylacetate is CCCCOC(=O)CC1CNCCO1.
What is the InChIKey of butyl 2-morpholin-2-ylacetate?
The InChIKey is CTJLXXCDHJOYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-3-5-14-10(12)7-9-8-11-4-6-13-9/h9,11H,2-8H2,1H3.
What are the key properties of butyl 2-morpholin-2-ylacetate?
butyl 2-morpholin-2-ylacetate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-morpholin-2-ylacetate is sourced from PubChem (CID 66434235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).