methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate

C19H36N2O10 — CID 162293508

IUPACmethyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
SMILESCN1CCOCC1.COC(=O)C1(O)CC(O)C(O)C(O)C1.COC(=O)[C@@H]1CCC(O)N1
InChIInChI=1S/C8H14O6.C6H11NO3.C5H11NO/c1-14-7(12)8(13)2-4(9)6(11)5(10)3-8;1-10-6(9)4-2-3-5(8)7-4;1-6-2-4-7-5-3-6/h4-6,9-11,13H,2-3H2,1H3;4-5,7-8H,2-3H2,1H3;2-5H2,1H3/t;4-,5?;/m.0./s1
InChIKeyUKHJMBRUXJJJTH-CSGVTGQWSA-N
MW452.50 g/mol
LogP-3.05
Rot. Bonds2

About methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate

methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate (PubChem CID 162293508) has the molecular formula C19H36N2O10 and a molecular weight of 452.50 g/mol. Its IUPAC name is methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
PubChem CID162293508
Molecular FormulaC19H36N2O10
Molecular Weight452.50 g/mol
Exact Mass452.24
IUPAC Namemethyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
SMILESCN1CCOCC1.COC(=O)C1(O)CC(O)C(O)C(O)C1.COC(=O)[C@@H]1CCC(O)N1
InChIInChI=1S/C8H14O6.C6H11NO3.C5H11NO/c1-14-7(12)8(13)2-4(9)6(11)5(10)3-8;1-10-6(9)4-2-3-5(8)7-4;1-6-2-4-7-5-3-6/h4-6,9-11,13H,2-3H2,1H3;4-5,7-8H,2-3H2,1H3;2-5H2,1H3/t;4-,5?;/m.0./s1
InChIKeyUKHJMBRUXJJJTH-CSGVTGQWSA-N
XLogP-3.05
TPSA178.25 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500452.50
LogP ≤ 5-3.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1,3,4-trihydroxy-5-(3-methylbutan-2-yl)cyclohexane-1-carboxylate
CID 23573298
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl (1S,3S,4R,5R)-3-(2-dimethoxyphosphorylethyl)-1,4,5-trihydroxycyclohexane-1-carboxylate
CID 10314275
methyl (2S,5R)-5-methylpyrrolidine-2-carboxylate;hydrochloride
CID 162341812
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
methyl 4-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
CID 117269936
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 3-ethynyl-4-oxo-1,2,3,6,7,9,10,10a-octahydropyrimido[1,2-d][1,4]oxazepine-2-carboxylate
CID 91263148
methyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 70678997
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate?
The IUPAC name of methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate (CID 162293508) is methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate?
The canonical SMILES for methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate is CN1CCOCC1.COC(=O)C1(O)CC(O)C(O)C(O)C1.COC(=O)[C@@H]1CCC(O)N1.
What is the InChIKey of methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate?
The InChIKey is UKHJMBRUXJJJTH-CSGVTGQWSA-N. The full InChI is InChI=1S/C8H14O6.C6H11NO3.C5H11NO/c1-14-7(12)8(13)2-4(9)6(11)5(10)3-8;1-10-6(9)4-2-3-5(8)7-4;1-6-2-4-7-5-3-6/h4-6,9-11,13H,2-3H2,1H3;4-5,7-8H,2-3H2,1H3;2-5H2,1H3/t;4-,5?;/m.0./s1.
What are the key properties of methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate?
methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate has a molecular weight of 452.50 g/mol, XLogP of -3.05, 2 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-hydroxypyrrolidine-2-carboxylate;4-methylmorpholine;methyl 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate is sourced from PubChem (CID 162293508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).