N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C12H21N3O2 — CID 93451570

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H21N3O2/c13-9-4-1-2-5-10(9)14-11(16)8-15-7-3-6-12(15)17/h9-10H,1-8,13H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyVPVFVOMBLIDFDA-NXEZZACHSA-N
MW239.32 g/mol
LogP-0.01
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 93451570) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID93451570
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O
InChIInChI=1S/C12H21N3O2/c13-9-4-1-2-5-10(9)14-11(16)8-15-7-3-6-12(15)17/h9-10H,1-8,13H2,(H,14,16)/t9-,10-/m1/s1
InChIKeyVPVFVOMBLIDFDA-NXEZZACHSA-N
XLogP-0.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-(2-oxoazepan-1-yl)acetamide
CID 119602522
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(2-oxoazepan-1-yl)acetamide
CID 104956817
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 96529679
N-(2-amino-1-cyclopentylethyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 106737272
N-(4-aminocyclohexyl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
CID 119478869
ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 110689912
3-[[2-(2-oxoazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030936
N-(3,3-dimethylcyclopentyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 115881844
N-(6-oxopiperidin-3-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 55210347
2-(2-oxopiperidin-1-yl)-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78864876
N-(2-aminocyclohexyl)propanamide
CID 61036997

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 93451570) is N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide is N[C@@H]1CCCC[C@H]1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is VPVFVOMBLIDFDA-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21N3O2/c13-9-4-1-2-5-10(9)14-11(16)8-15-7-3-6-12(15)17/h9-10H,1-8,13H2,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 93451570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).