2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate

C14H23NO3 — CID 59204120

IUPAC2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
SMILESO=C(OCCN1CCOCC1)C1CC2CCC1C2
InChIInChI=1S/C14H23NO3/c16-14(13-10-11-1-2-12(13)9-11)18-8-5-15-3-6-17-7-4-15/h11-13H,1-10H2
InChIKeyLQIDAGYDSKRULY-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.30
Rot. Bonds4

About 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate

2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 59204120) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID59204120
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate
SMILESO=C(OCCN1CCOCC1)C1CC2CCC1C2
InChIInChI=1S/C14H23NO3/c16-14(13-10-11-1-2-12(13)9-11)18-8-5-15-3-6-17-7-4-15/h11-13H,1-10H2
InChIKeyLQIDAGYDSKRULY-UHFFFAOYSA-N
XLogP1.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,4S)-N-(3-morpholin-4-ylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7079828
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
2-hydroxyethyl bicyclo[2.2.1]heptane-2-carboxylate;2-methylpropane
CID 91028448
2-morpholin-4-ylethyl piperidine-4-carboxylate;hydrochloride
CID 118522364
2-morpholin-4-ylethyl 1-ethylpiperidine-4-carboxylate
CID 118534909
4-(bicyclo[2.2.1]heptane-2-carbonyloxy)butane-1-sulfonic acid
CID 59360444
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
2-morpholin-4-ylethyl adamantane-1-carboxylate;2-morpholin-4-ylethyl adamantane-2-carboxylate;2-morpholin-4-ylethyl 2-(2-adamantyl)acetate;2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate;2-morpholin-4-ylethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate;2-morpholin-4-ylethyl cyclohexanecarboxylate;2-morpholin-4-ylethyl 2-cyclohexylacetate;2-morpholin-4-ylethyl cyclopentanecarboxylate;2-morpholin-4-ylethyl 2-cyclopentylacetate;2-morpholin-4-ylethyl hexadecanoate
CID 161265013
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-[(4S)-bicyclo[2.2.1]heptane-2-carbonyl]oxyethyl-ethyl-dipropylazanium
CID 155170635
2-morpholin-4-ylethyl 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 166930158
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate (CID 59204120) is 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate is O=C(OCCN1CCOCC1)C1CC2CCC1C2.
What is the InChIKey of 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is LQIDAGYDSKRULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-14(13-10-11-1-2-12(13)9-11)18-8-5-15-3-6-17-7-4-15/h11-13H,1-10H2.
What are the key properties of 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate?
2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 59204120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).