trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile

C11H19NO3 — CID 10976800

IUPACtrans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile
SMILESCOCOCC[C@@]1(C#N)CC[C@H]1C(C)O
InChIInChI=1S/C11H19NO3/c1-9(13)10-3-4-11(10,7-12)5-6-15-8-14-2/h9-10,13H,3-6,8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyXMBSYBZBUFSMCY-QXXIUIOUSA-N
MW213.28 g/mol
LogP1.30
Rot. Bonds6

About trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile

trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile (PubChem CID 10976800) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile
PubChem CID10976800
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametrans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile
SMILESCOCOCC[C@@]1(C#N)CC[C@H]1C(C)O
InChIInChI=1S/C11H19NO3/c1-9(13)10-3-4-11(10,7-12)5-6-15-8-14-2/h9-10,13H,3-6,8H2,1-2H3/t9?,10-,11+/m0/s1
InChIKeyXMBSYBZBUFSMCY-QXXIUIOUSA-N
XLogP1.30
TPSA62.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile 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

1-(2-methoxyethyl)-2-methylcyclopentane-1-carbonitrile
CID 131162812
1-(2-methoxyethylamino)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 62704486
(1S)-1-[(1R,2R)-2-amino-2-(3-methoxypropyl)cyclohexyl]ethanol
CID 11550281
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylcyclohexane-1-carbonitrile
CID 104568485
1-(1-hydroxy-3-methoxy-2-methylpropyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116503423
4-tert-butyl-1-(1-hydroxy-3-methoxy-2-methylpropyl)cyclohexane-1-carbonitrile
CID 116503435
4-ethyl-1-[2-(3-methylbutoxy)ethyl]cyclohexane-1-carbonitrile
CID 65393896
1-(ethylamino)-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carbonitrile
CID 79639856
1-[(2R,3R,5R)-5-[3-(methoxymethoxy)propyl]-3-methyloxolan-2-yl]ethanol
CID 10988129
1-(2-methoxyethylamino)-2,4-dimethylcyclohexane-1-carbonitrile
CID 64754745
1-[2-(3-methylbutoxy)ethyl]-4-propylcyclohexane-1-carbonitrile
CID 65423679
5-[(1R,2R)-2-acetyl-1-[2-(methoxymethoxy)ethyl]cyclobutyl]pentan-2-one
CID 11032933

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile?
The IUPAC name of trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile (CID 10976800) is trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile?
The canonical SMILES for trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile is COCOCC[C@@]1(C#N)CC[C@H]1C(C)O.
What is the InChIKey of trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile?
The InChIKey is XMBSYBZBUFSMCY-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)10-3-4-11(10,7-12)5-6-15-8-14-2/h9-10,13H,3-6,8H2,1-2H3/t9?,10-,11+/m0/s1.
What are the key properties of trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile?
trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(1-hydroxyethyl)-1-[2-(methoxymethoxy)ethyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 10976800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).