2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide

C13H17N3O2 — CID 106187812

IUPAC2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H17N3O2/c14-11(6-9-4-2-1-3-5-9)13(18)16-10-7-12(17)15-8-10/h1-5,10-11H,6-8,14H2,(H,15,17)(H,16,18)
InChIKeyZTGIMESDKNDIOS-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.44
Rot. Bonds4

About 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide

2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide (PubChem CID 106187812) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
PubChem CID106187812
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NC1CNC(=O)C1
InChIInChI=1S/C13H17N3O2/c14-11(6-9-4-2-1-3-5-9)13(18)16-10-7-12(17)15-8-10/h1-5,10-11H,6-8,14H2,(H,15,17)(H,16,18)
InChIKeyZTGIMESDKNDIOS-UHFFFAOYSA-N
XLogP-0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106186177
2-amino-N-(3,5-dimethylcyclohexyl)-3-phenylpropanamide
CID 64732718
(2R)-2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187627
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
(2S)-2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 61180000
2-amino-N-(2-oxoazepan-3-yl)-3-phenylpropanamide
CID 43704102
(2S)-2-amino-4-methylsulfanyl-N-(5-oxopyrrolidin-3-yl)butanamide
CID 106187684
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319374

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide (CID 106187812) is 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NC1CNC(=O)C1.
What is the InChIKey of 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
The InChIKey is ZTGIMESDKNDIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-11(6-9-4-2-1-3-5-9)13(18)16-10-7-12(17)15-8-10/h1-5,10-11H,6-8,14H2,(H,15,17)(H,16,18).
What are the key properties of 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide?
2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide has a molecular weight of 247.30 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide is sourced from PubChem (CID 106187812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).