[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate

C11H17NO3 — CID 847500

IUPAC[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
SMILESCC(=O)O[C@H](C)C#CCN1CCOCC1
InChIInChI=1S/C11H17NO3/c1-10(15-11(2)13)4-3-5-12-6-8-14-9-7-12/h10H,5-9H2,1-2H3/t10-/m1/s1
InChIKeyDMLWBQUANRUHJC-SNVBAGLBSA-N
MW211.26 g/mol
LogP0.27
Rot. Bonds2

About [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate

[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate (PubChem CID 847500) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
PubChem CID847500
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate
SMILESCC(=O)O[C@H](C)C#CCN1CCOCC1
InChIInChI=1S/C11H17NO3/c1-10(15-11(2)13)4-3-5-12-6-8-14-9-7-12/h10H,5-9H2,1-2H3/t10-/m1/s1
InChIKeyDMLWBQUANRUHJC-SNVBAGLBSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-6-morpholin-4-yl-3-propan-2-ylhex-4-yn-3-yl) acetate
CID 685846
2-methyl-6-morpholin-4-ylhex-4-yn-3-ol
CID 15356979
3-acetyloxy-2-(morpholin-4-ylmethyl)butanoic acid
CID 66704647
(2R)-6-morpholin-4-ylhex-4-yn-2-ol
CID 7272443
1-morpholin-4-ylhexan-2-yl acetate
CID 22706849
2,3-dimethyl-6-morpholin-4-ylhex-1-en-4-yn-3-ol
CID 2840553
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
4-methyl-2-(morpholine-4-carbonyloxy)pentanoic acid
CID 54452684
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
[dimethyl(morpholin-4-ylmethyl)silyl] acetate
CID 69426316

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate?
The IUPAC name of [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate (CID 847500) is [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate.
What is the SMILES notation for [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate?
The canonical SMILES for [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate is CC(=O)O[C@H](C)C#CCN1CCOCC1.
What is the InChIKey of [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate?
The InChIKey is DMLWBQUANRUHJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(15-11(2)13)4-3-5-12-6-8-14-9-7-12/h10H,5-9H2,1-2H3/t10-/m1/s1.
What are the key properties of [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate?
[(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate has a molecular weight of 211.26 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-morpholin-4-ylpent-3-yn-2-yl] acetate is sourced from PubChem (CID 847500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).