cyclohexylmethyl morpholine-2-carboxylate

C12H21NO3 — CID 62382529

IUPACcyclohexylmethyl morpholine-2-carboxylate
SMILESO=C(OCC1CCCCC1)C1CNCCO1
InChIInChI=1S/C12H21NO3/c14-12(11-8-13-6-7-15-11)16-9-10-4-2-1-3-5-10/h10-11,13H,1-9H2
InChIKeyBGCBXNPYZUTWPW-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.10
Rot. Bonds3

About cyclohexylmethyl morpholine-2-carboxylate

cyclohexylmethyl morpholine-2-carboxylate (PubChem CID 62382529) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is cyclohexylmethyl morpholine-2-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl morpholine-2-carboxylate
PubChem CID62382529
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namecyclohexylmethyl morpholine-2-carboxylate
SMILESO=C(OCC1CCCCC1)C1CNCCO1
InChIInChI=1S/C12H21NO3/c14-12(11-8-13-6-7-15-11)16-9-10-4-2-1-3-5-10/h10-11,13H,1-9H2
InChIKeyBGCBXNPYZUTWPW-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
2-cyclobutyl-1-morpholin-2-ylethanone
CID 116561623
cyclobutyl morpholine-2-carboxylate
CID 62217575
(2S)-N-(cyclobutylmethyl)morpholine-2-carboxamide;hydrochloride
CID 131065842
cyclopropylmethyl 2-morpholin-2-ylacetate
CID 66434430
N-(3-cyclohexylpropyl)morpholine-2-carboxamide;hydrochloride
CID 119724280
(2R)-morpholine-2-carboxamide
CID 51600069
cyclohexylmethyl cyclopropanecarboxylate
CID 534303
N-(3-cyclopentylpropyl)morpholine-2-carboxamide
CID 113266264
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
N-[2-(cyclopropylmethoxy)ethyl]morpholine-2-carboxamide
CID 103809948
ethane;morpholine-2-carboxylic acid
CID 170608685

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl morpholine-2-carboxylate?
The IUPAC name of cyclohexylmethyl morpholine-2-carboxylate (CID 62382529) is cyclohexylmethyl morpholine-2-carboxylate.
What is the SMILES notation for cyclohexylmethyl morpholine-2-carboxylate?
The canonical SMILES for cyclohexylmethyl morpholine-2-carboxylate is O=C(OCC1CCCCC1)C1CNCCO1.
What is the InChIKey of cyclohexylmethyl morpholine-2-carboxylate?
The InChIKey is BGCBXNPYZUTWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-12(11-8-13-6-7-15-11)16-9-10-4-2-1-3-5-10/h10-11,13H,1-9H2.
What are the key properties of cyclohexylmethyl morpholine-2-carboxylate?
cyclohexylmethyl morpholine-2-carboxylate has a molecular weight of 227.30 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl morpholine-2-carboxylate is sourced from PubChem (CID 62382529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).