2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide

C15H19N3O — CID 62962908

IUPAC2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
SMILESN#CC1CCCC1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H19N3O/c16-10-12-7-4-8-14(12)18-15(19)13(17)9-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-9,17H2,(H,18,19)
InChIKeyMRXATVPHZFNFNY-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide

2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide (PubChem CID 62962908) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
PubChem CID62962908
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
SMILESN#CC1CCCC1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H19N3O/c16-10-12-7-4-8-14(12)18-15(19)13(17)9-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-9,17H2,(H,18,19)
InChIKeyMRXATVPHZFNFNY-UHFFFAOYSA-N
XLogP1.36
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-3-phenylpropanamide
CID 107221661
(2S)-2-amino-3-phenyl-N-(2-phenylcyclopentyl)propanamide
CID 119323274
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183
(2S)-2-amino-N-(2-ethylsulfanylcyclopentyl)-3-phenylpropanamide
CID 103798040
4-[(2-cyanocyclopentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122010045
4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
(2S)-2-amino-N-(2-cyclohexylcyclopropyl)-3-phenylpropanamide;hydrochloride
CID 119335197
N-(2-cyanocyclopentyl)-2-(2-hydroxyphenyl)acetamide
CID 79602744
3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119309135
(2S)-2-amino-N-(3-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119285428
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide (CID 62962908) is 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide is N#CC1CCCC1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide?
The InChIKey is MRXATVPHZFNFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-10-12-7-4-8-14(12)18-15(19)13(17)9-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-9,17H2,(H,18,19).
What are the key properties of 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide?
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide is sourced from PubChem (CID 62962908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).