2-(5-methoxypentyl)morpholine-4-carboxylic acid

C11H21NO4 — CID 69189865

IUPAC2-(5-methoxypentyl)morpholine-4-carboxylic acid
SMILESCOCCCCCC1CN(C(=O)O)CCO1
InChIInChI=1S/C11H21NO4/c1-15-7-4-2-3-5-10-9-12(11(13)14)6-8-16-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyBYYVGIZSDDMRQZ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.57
Rot. Bonds6

About 2-(5-methoxypentyl)morpholine-4-carboxylic acid

2-(5-methoxypentyl)morpholine-4-carboxylic acid (PubChem CID 69189865) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(5-methoxypentyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methoxypentyl)morpholine-4-carboxylic acid
PubChem CID69189865
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(5-methoxypentyl)morpholine-4-carboxylic acid
SMILESCOCCCCCC1CN(C(=O)O)CCO1
InChIInChI=1S/C11H21NO4/c1-15-7-4-2-3-5-10-9-12(11(13)14)6-8-16-10/h10H,2-9H2,1H3,(H,13,14)
InChIKeyBYYVGIZSDDMRQZ-UHFFFAOYSA-N
XLogP1.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[Acetyl(oxan-2-ylmethyl)amino]-10-hydroxydecan-2-yl] acetate
CID 53968385
3-Ethoxypiperidine-1-carboxylic acid
CID 69042179
(3R)-3-ethoxypiperidine-1-carboxylic acid
CID 69042183
(3R)-3-(2-methoxyethoxy)piperidine-1-carboxylic acid
CID 69042431
Tert-butyl 15-oxa-13-azabicyclo[9.3.1]pentadecane-13-carboxylate
CID 69173526
4-(6-Methoxyhexoxy)piperidine-1-carboxylic acid
CID 69677664
tert-butyl-[(3R,6S)-6-(2-hydroxyethyl)oxan-3-yl]carbamic acid
CID 70871883
2-(5-Methoxypentoxymethyl)piperidine-1-carboxylic acid
CID 90691553
2-(Propan-2-yloxymethyl)piperidine-1-carboxylic acid
CID 91083042
4-(Oxan-2-ylmethyl)piperazine-1-carboxylic acid
CID 142782094
(2R)-2-(5-aminopentyl)morpholine-4-carboxylic acid
CID 146599334
(4S)-2,2-dimethyl-4-(oxan-2-yl)-1,3-oxazolidine-3-carboxylic acid
CID 156442782

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxypentyl)morpholine-4-carboxylic acid?
The IUPAC name of 2-(5-methoxypentyl)morpholine-4-carboxylic acid (CID 69189865) is 2-(5-methoxypentyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 2-(5-methoxypentyl)morpholine-4-carboxylic acid?
The canonical SMILES for 2-(5-methoxypentyl)morpholine-4-carboxylic acid is COCCCCCC1CN(C(=O)O)CCO1.
What is the InChIKey of 2-(5-methoxypentyl)morpholine-4-carboxylic acid?
The InChIKey is BYYVGIZSDDMRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-15-7-4-2-3-5-10-9-12(11(13)14)6-8-16-10/h10H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-(5-methoxypentyl)morpholine-4-carboxylic acid?
2-(5-methoxypentyl)morpholine-4-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxypentyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 69189865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).