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

C13H17N3O2 — CID 106186177

IUPAC3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
SMILESNCC(C(=O)NC1CNC(=O)C1)c1ccccc1
InChIInChI=1S/C13H17N3O2/c14-7-11(9-4-2-1-3-5-9)13(18)16-10-6-12(17)15-8-10/h1-5,10-11H,6-8,14H2,(H,15,17)(H,16,18)
InChIKeyFIUKZDHLGRTSOZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.27
Rot. Bonds4

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

3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide (PubChem CID 106186177) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
PubChem CID106186177
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
SMILESNCC(C(=O)NC1CNC(=O)C1)c1ccccc1
InChIInChI=1S/C13H17N3O2/c14-7-11(9-4-2-1-3-5-9)13(18)16-10-6-12(17)15-8-10/h1-5,10-11H,6-8,14H2,(H,15,17)(H,16,18)
InChIKeyFIUKZDHLGRTSOZ-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 106187812
3-amino-N-(3-methylcyclobutyl)-2-phenylpropanamide
CID 113266937
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 106191844
N'-hydroxy-3-[(5-oxopyrrolidin-3-yl)amino]-2-phenylpropanimidamide
CID 106189648
3-amino-N-(2-ethylcyclopropyl)-2-phenylpropanamide
CID 103811259
3-amino-N-(oxolan-3-yl)-2-phenylpropanamide
CID 80717092
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119776410
3-amino-N-(1,1-dioxothiolan-3-yl)-2-phenylpropanamide;hydrochloride
CID 119670194
1-[(3R)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 95985030
2-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide
CID 106187568
ethyl 4-[(3-amino-2-phenylpropanoyl)amino]cyclohexane-1-carboxylate
CID 119738180

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide (CID 106186177) is 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide is NCC(C(=O)NC1CNC(=O)C1)c1ccccc1.
What is the InChIKey of 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide?
The InChIKey is FIUKZDHLGRTSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-7-11(9-4-2-1-3-5-9)13(18)16-10-6-12(17)15-8-10/h1-5,10-11H,6-8,14H2,(H,15,17)(H,16,18).
What are the key properties of 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide?
3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide has a molecular weight of 247.30 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-oxopyrrolidin-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 106186177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).