2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide

C13H22N4O — CID 113282484

IUPAC2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CN2CC[C@H](N)C2)CCCCC1
InChIInChI=1S/C13H22N4O/c14-10-13(5-2-1-3-6-13)16-12(18)9-17-7-4-11(15)8-17/h11H,1-9,15H2,(H,16,18)/t11-/m0/s1
InChIKeyUJDJLJMWFKPVRG-NSHDSACASA-N
MW250.35 g/mol
LogP0.36
Rot. Bonds3

About 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide

2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 113282484) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
PubChem CID113282484
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CN2CC[C@H](N)C2)CCCCC1
InChIInChI=1S/C13H22N4O/c14-10-13(5-2-1-3-6-13)16-12(18)9-17-7-4-11(15)8-17/h11H,1-9,15H2,(H,16,18)/t11-/m0/s1
InChIKeyUJDJLJMWFKPVRG-NSHDSACASA-N
XLogP0.36
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide (CID 113282484) is 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)CN2CC[C@H](N)C2)CCCCC1.
What is the InChIKey of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is UJDJLJMWFKPVRG-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c14-10-13(5-2-1-3-6-13)16-12(18)9-17-7-4-11(15)8-17/h11H,1-9,15H2,(H,16,18)/t11-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide?
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 113282484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).