1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one

C11H20N2O2 — CID 168661550

IUPAC1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESN[C@@H]1CCCC[C@@H]1N1CC(CO)CC1=O
InChIInChI=1S/C11H20N2O2/c12-9-3-1-2-4-10(9)13-6-8(7-14)5-11(13)15/h8-10,14H,1-7,12H2/t8?,9-,10+/m1/s1
InChIKeyNJUUGKJBACRCSP-XVBQNVSMSA-N
MW212.29 g/mol
LogP0.10
Rot. Bonds2

About 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one (PubChem CID 168661550) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
PubChem CID168661550
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one
SMILESN[C@@H]1CCCC[C@@H]1N1CC(CO)CC1=O
InChIInChI=1S/C11H20N2O2/c12-9-3-1-2-4-10(9)13-6-8(7-14)5-11(13)15/h8-10,14H,1-7,12H2/t8?,9-,10+/m1/s1
InChIKeyNJUUGKJBACRCSP-XVBQNVSMSA-N
XLogP0.10
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 24275516
2-[(4R)-4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 44367491
(S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-4-hydroxybutan-1-one
CID 44433943
2-[4-(Hydroxymethyl)-2-oxopyrrolidin-1-yl]butanamide
CID 22387013
N-cyclohexyl-4-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 23342872
2-(3,5-Dimethyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanamide
CID 23342874
4-Hydroxy-2-(3-methyl-2-oxopyrrolidin-1-yl)butanamide
CID 23342880
(2S)-2-[4-(hydroxymethyl)2-oxo-1-pyrrolidinyl]butanamide
CID 60105803
(2S)-2-[4-(hydroxymethyl)-2-oxo-1-pyrrolidinyl]-N-methylbutanamide
CID 66725930
(2S)-2-[4-(hydroxymethyl)-2-oxo-1-pyrrolidinyl]pentanamide
CID 66725938
5-Hydroxy-3-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 138496091
5-Hydroxy-4-methyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 163456005

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The IUPAC name of 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one (CID 168661550) is 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one is N[C@@H]1CCCC[C@@H]1N1CC(CO)CC1=O.
What is the InChIKey of 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one?
The InChIKey is NJUUGKJBACRCSP-XVBQNVSMSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-9-3-1-2-4-10(9)13-6-8(7-14)5-11(13)15/h8-10,14H,1-7,12H2/t8?,9-,10+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one?
1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-aminocyclohexyl]-4-(hydroxymethyl)pyrrolidin-2-one is sourced from PubChem (CID 168661550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).