propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate

C12H21NO5 — CID 135070103

IUPACpropyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate
SMILESCCCOC(=O)CC(O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO5/c1-2-5-18-12(16)9-10(14)8-11(15)13-3-6-17-7-4-13/h10,14H,2-9H2,1H3
InChIKeyGCLHCKFTALEPAQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.06
Rot. Bonds6

About propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate

propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate (PubChem CID 135070103) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate.

Molecular Properties

Compound Namepropyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate
PubChem CID135070103
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Namepropyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate
SMILESCCCOC(=O)CC(O)CC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO5/c1-2-5-18-12(16)9-10(14)8-11(15)13-3-6-17-7-4-13/h10,14H,2-9H2,1H3
InChIKeyGCLHCKFTALEPAQ-UHFFFAOYSA-N
XLogP-0.06
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-Dimethylmorpholin-4-yl)-3-methyl-5-oxopentanoic acid
CID 6466741
3,3-dimethyl-5-oxo-5-[(6S)-2,2,6-trimethylmorpholin-4-yl]pentanoic acid
CID 124465189
Ethyl 5-morpholin-4-yl-5-oxopentanoate
CID 12417235
Ethyl 1-(2-hydroxypropyl)-6-oxopiperidine-3-carboxylate
CID 14454409
5-Morpholin-4-YL-5-oxopentanoic acid
CID 15779948
5-(2-Methylmorpholin-4-yl)-5-oxopentanoic acid
CID 16775484
5-(4-Hydroxypiperidin-1-yl)-5-oxopentanoic acid
CID 43085222
5-(2-Ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43562555
Ethyl 1-acetyl-4-hydroxypiperidine-3-carboxylate
CID 53697722
5-Hydroxy-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 79199074
5-[Bis(2-hydroxypropyl)amino]-5-oxopentanoic acid
CID 132890107
5-(2-Tert-butylmorpholin-4-yl)-5-oxopentanoic acid
CID 137429419

Frequently Asked Questions

What is the IUPAC name of propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate?
The IUPAC name of propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate (CID 135070103) is propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate.
What is the SMILES notation for propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate?
The canonical SMILES for propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate is CCCOC(=O)CC(O)CC(=O)N1CCOCC1.
What is the InChIKey of propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate?
The InChIKey is GCLHCKFTALEPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-2-5-18-12(16)9-10(14)8-11(15)13-3-6-17-7-4-13/h10,14H,2-9H2,1H3.
What are the key properties of propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate?
propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate has a molecular weight of 259.30 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-hydroxy-5-morpholin-4-yl-5-oxopentanoate is sourced from PubChem (CID 135070103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).