2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide

C8H13N3O — CID 164648520

IUPAC2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide
SMILESN#CNC(=O)C[C@@H]1CCC[C@H]1N
InChIInChI=1S/C8H13N3O/c9-5-11-8(12)4-6-2-1-3-7(6)10/h6-7H,1-4,10H2,(H,11,12)/t6-,7+/m0/s1
InChIKeyOKTAMZRJOJJUCV-NKWVEPMBSA-N
MW167.21 g/mol
LogP0.10
Rot. Bonds2

About 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide

2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide (PubChem CID 164648520) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide.

Molecular Properties

Compound Name2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide
PubChem CID164648520
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide
SMILESN#CNC(=O)C[C@@H]1CCC[C@H]1N
InChIInChI=1S/C8H13N3O/c9-5-11-8(12)4-6-2-1-3-7(6)10/h6-7H,1-4,10H2,(H,11,12)/t6-,7+/m0/s1
InChIKeyOKTAMZRJOJJUCV-NKWVEPMBSA-N
XLogP0.10
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
2-(2-aminocyclopentyl)-N-(2-methylcyclopropyl)acetamide
CID 164648708
methyl 2-(2-aminocyclopentyl)acetate;hydrochloride
CID 105447728
2-(2-aminocyclohexyl)-N-(oxan-4-yl)acetamide
CID 62783525
2-(2-aminocyclohexyl)-N-(2-methylbutan-2-yl)acetamide
CID 62775988
1-[(1R,2R)-2-aminocyclohexyl]propan-2-one
CID 178190892
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
2-(2-aminocyclohexyl)-N-(4-methylpentan-2-yl)acetamide
CID 62781340
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 62782342
N-[(2-aminocyclohexyl)methyl]-2-cyclobutylacetamide
CID 103166988
2-(2-aminocyclohexyl)-N-(1-methylpiperidin-4-yl)acetamide
CID 62781851
2-(2-aminocyclohexyl)-N-(oxolan-3-yl)acetamide
CID 80715499

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide?
The IUPAC name of 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide (CID 164648520) is 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide.
What is the SMILES notation for 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide?
The canonical SMILES for 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide is N#CNC(=O)C[C@@H]1CCC[C@H]1N.
What is the InChIKey of 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide?
The InChIKey is OKTAMZRJOJJUCV-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13N3O/c9-5-11-8(12)4-6-2-1-3-7(6)10/h6-7H,1-4,10H2,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide?
2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide has a molecular weight of 167.21 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 2-[(1S,2R)-2-aminocyclopentyl]-N-cyanoacetamide is sourced from PubChem (CID 164648520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).