N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide

C11H18N4O — CID 63251221

IUPACN-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
SMILESNC1CCCC1NC(=O)CCn1ccnc1
InChIInChI=1S/C11H18N4O/c12-9-2-1-3-10(9)14-11(16)4-6-15-7-5-13-8-15/h5,7-10H,1-4,6,12H2,(H,14,16)
InChIKeyXOUAGGOUDJROKJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.27
Rot. Bonds4

About N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide

N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide (PubChem CID 63251221) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
PubChem CID63251221
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
SMILESNC1CCCC1NC(=O)CCn1ccnc1
InChIInChI=1S/C11H18N4O/c12-9-2-1-3-10(9)14-11(16)4-6-15-7-5-13-8-15/h5,7-10H,1-4,6,12H2,(H,14,16)
InChIKeyXOUAGGOUDJROKJ-UHFFFAOYSA-N
XLogP0.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-hydroxycyclohexyl]-3-imidazol-1-ylpropanamide
CID 104957006
3-imidazol-1-yl-N-(4-methylpyrrolidin-3-yl)propanamide
CID 104826173
N-[(1R,2R,3R)-2-hydroxy-3-morpholin-4-ylcycloheptyl]-3-imidazol-1-ylpropanamide
CID 110128279
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-imidazol-1-ylpropanamide
CID 66213092
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide
CID 70065036
N-[(1R,2R)-2-aminocyclohexyl]-3-pyridin-4-ylpropanamide
CID 113265421
N-(2-aminopropyl)-3-imidazol-1-ylpropanamide
CID 63733352
N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775
3-imidazol-1-ylpropanamide;hydrate
CID 70092717
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide?
The IUPAC name of N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide (CID 63251221) is N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide?
The canonical SMILES for N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide is NC1CCCC1NC(=O)CCn1ccnc1.
What is the InChIKey of N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide?
The InChIKey is XOUAGGOUDJROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-9-2-1-3-10(9)14-11(16)4-6-15-7-5-13-8-15/h5,7-10H,1-4,6,12H2,(H,14,16).
What are the key properties of N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide?
N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide has a molecular weight of 222.29 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide is sourced from PubChem (CID 63251221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).