N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide

C12H22N2O2 — CID 107222088

IUPACN-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2/c15-11-4-2-1-3-10(11)14-12(16)7-9-5-6-13-8-9/h9-11,13,15H,1-8H2,(H,14,16)/t9?,10-,11-/m1/s1
InChIKeyQPHOXGCSPXLYRQ-FHZGLPGMSA-N
MW226.32 g/mol
LogP0.41
Rot. Bonds3

About N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide

N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide (PubChem CID 107222088) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
PubChem CID107222088
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide
SMILESO=C(CC1CCNC1)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H22N2O2/c15-11-4-2-1-3-10(11)14-12(16)7-9-5-6-13-8-9/h9-11,13,15H,1-8H2,(H,14,16)/t9?,10-,11-/m1/s1
InChIKeyQPHOXGCSPXLYRQ-FHZGLPGMSA-N
XLogP0.41
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycycloheptyl)-2-piperidin-4-ylacetamide
CID 113394752
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-hydroxycyclohexyl)acetamide
CID 79615606
2-cyclopentyl-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110125825
2-cyclopentyl-N-pyrrolidin-3-ylacetamide
CID 60778008
N-(2-methylcyclopentyl)-2-piperidin-3-ylacetamide
CID 63281648
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-[2-(hydroxymethyl)cyclopentyl]-2-piperidin-3-ylacetamide
CID 114178697
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-[(1R,2R)-2-hydroxycyclohexyl]acetamide
CID 107221956
N-(2-hydroxycyclopentyl)pyrrolidine-3-carboxamide
CID 130671373
N-[(1S,2S)-2-hydroxycyclohexyl]-2-piperazin-1-ylacetamide
CID 107221527
N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide
CID 79878206
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide?
The IUPAC name of N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide (CID 107222088) is N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide is O=C(CC1CCNC1)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide?
The InChIKey is QPHOXGCSPXLYRQ-FHZGLPGMSA-N. The full InChI is InChI=1S/C12H22N2O2/c15-11-4-2-1-3-10(11)14-12(16)7-9-5-6-13-8-9/h9-11,13,15H,1-8H2,(H,14,16)/t9?,10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide?
N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxycyclohexyl]-2-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 107222088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).