5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one

C11H21NO4 — CID 102938984

IUPAC5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
SMILESCC1CN(C(=O)CCCCO)CC(CO)O1
InChIInChI=1S/C11H21NO4/c1-9-6-12(7-10(8-14)16-9)11(15)4-2-3-5-13/h9-10,13-14H,2-8H2,1H3
InChIKeyBFHDHUNRLVBMAN-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.24
Rot. Bonds5

About 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one

5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one (PubChem CID 102938984) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one.

Molecular Properties

Compound Name5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
PubChem CID102938984
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
SMILESCC1CN(C(=O)CCCCO)CC(CO)O1
InChIInChI=1S/C11H21NO4/c1-9-6-12(7-10(8-14)16-9)11(15)4-2-3-5-13/h9-10,13-14H,2-8H2,1H3
InChIKeyBFHDHUNRLVBMAN-UHFFFAOYSA-N
XLogP-0.24
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methylmorpholin-4-yl)-5-oxopentanoic acid
CID 16775484
5-(2-Ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43562555
5-Hydroxy-1-(4-methylmorpholin-4-ium-4-yl)pentan-1-one
CID 54160983
5-Hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
[4-(2-Hydroxy-3-methoxypropyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 58891023
5-Hydroxy-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 79199074
1-[2-(Hydroxymethyl)morpholin-4-yl]-2-methylpentan-1-one
CID 81209132
N-[(3S)-3-hydroxybutyl]-N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 90266939
N-(2,3-dihydroxypropyl)-4,5-dihydroxy-N-(1-hydroxy-3-methoxypropyl)pentanamide
CID 139697255
(2R,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one
CID 140500778
Ethane;5-(2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 145342097
(2S,3R,4R)-2,3,4,5-tetrahydroxy-1-morpholin-4-ylpentan-1-one
CID 148920616

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The IUPAC name of 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one (CID 102938984) is 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one.
What is the SMILES notation for 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The canonical SMILES for 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one is CC1CN(C(=O)CCCCO)CC(CO)O1.
What is the InChIKey of 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
The InChIKey is BFHDHUNRLVBMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-9-6-12(7-10(8-14)16-9)11(15)4-2-3-5-13/h9-10,13-14H,2-8H2,1H3.
What are the key properties of 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one?
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one has a molecular weight of 231.29 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one is sourced from PubChem (CID 102938984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).