(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride

C12H24ClNO3 — CID 178134265

IUPAC(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride
SMILESCCC[C@]1(C(=O)O)CNC[C@H](C(C)(C)C)O1.Cl
InChIInChI=1S/C12H23NO3.ClH/c1-5-6-12(10(14)15)8-13-7-9(16-12)11(2,3)4;/h9,13H,5-8H2,1-4H3,(H,14,15);1H/t9-,12-;/m1./s1
InChIKeyAIZDNMNDLPPMMR-WYUVZMMLSA-N
MW265.78 g/mol
LogP2.07
Rot. Bonds3

About (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride

(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride (PubChem CID 178134265) has the molecular formula C12H24ClNO3 and a molecular weight of 265.78 g/mol. Its IUPAC name is (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride
PubChem CID178134265
Molecular FormulaC12H24ClNO3
Molecular Weight265.78 g/mol
Exact Mass265.14
IUPAC Name(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride
SMILESCCC[C@]1(C(=O)O)CNC[C@H](C(C)(C)C)O1.Cl
InChIInChI=1S/C12H23NO3.ClH/c1-5-6-12(10(14)15)8-13-7-9(16-12)11(2,3)4;/h9,13H,5-8H2,1-4H3,(H,14,15);1H/t9-,12-;/m1./s1
InChIKeyAIZDNMNDLPPMMR-WYUVZMMLSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylic acid
CID 91212132
2-tert-butyl-1-oxa-4-azaspiro[5.5]undecane
CID 65103646
2,6-ditert-butylmorpholine;oxalic acid
CID 121023541
(3S,4S)-4-amino-3-propylpyrrolidine-3-carboxylic acid
CID 130762276
(3R,5S)-5-tert-butyl-3-(3,3-difluoropropyl)piperidine-3-carboxylic acid;hydrochloride
CID 178134382
(3R,5S)-5-tert-butyl-3-(3-methylbutyl)piperidine-3-carboxylic acid;hydrochloride
CID 177236663
methyl (3R)-3-butyl-5-(2,2-dimethylpropyl)piperidine-3-carboxylate;molecular hydrogen
CID 178134303
(3R)-3-propyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
CID 15203100
2-amino-1-(3-hydroxy-3-propylazetidin-1-yl)-2-methylpentan-1-one
CID 107219893
3-propyl-1,4-oxazepane-3-carboxylic acid
CID 105442568
3-ethyl-5-methylpiperidine-3-carboxylic acid
CID 130899276
9-tert-butyl-2-ethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65122254

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride (CID 178134265) is (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride is CCC[C@]1(C(=O)O)CNC[C@H](C(C)(C)C)O1.Cl.
What is the InChIKey of (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride?
The InChIKey is AIZDNMNDLPPMMR-WYUVZMMLSA-N. The full InChI is InChI=1S/C12H23NO3.ClH/c1-5-6-12(10(14)15)8-13-7-9(16-12)11(2,3)4;/h9,13H,5-8H2,1-4H3,(H,14,15);1H/t9-,12-;/m1./s1.
What are the key properties of (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride?
(2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-tert-butyl-2-propylmorpholine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 178134265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).