3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide

C15H21N3O2 — CID 80552772

IUPAC3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCC(C(=O)NCC1CCC(=O)N1)C(N)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-10(14(16)11-5-3-2-4-6-11)15(20)17-9-12-7-8-13(19)18-12/h2-6,10,12,14H,7-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyQZDKARUIQUCLRQ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.72
Rot. Bonds5

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

3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 80552772) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
PubChem CID80552772
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide
SMILESCC(C(=O)NCC1CCC(=O)N1)C(N)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-10(14(16)11-5-3-2-4-6-11)15(20)17-9-12-7-8-13(19)18-12/h2-6,10,12,14H,7-9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyQZDKARUIQUCLRQ-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 103498544
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
3-amino-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 64895784
(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
CID 103930019
3-amino-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119670098
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119865519
3-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-2-methyl-3-phenylpropanamide
CID 119878746
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
CID 95768963
3-amino-N-[[2-(methanesulfonamido)cyclopentyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821595
3-amino-2-methyl-N-[2-(2-methylcyclohexyl)oxyethyl]-3-phenylpropanamide
CID 119723102

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide (CID 80552772) is 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide is CC(C(=O)NCC1CCC(=O)N1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is QZDKARUIQUCLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(14(16)11-5-3-2-4-6-11)15(20)17-9-12-7-8-13(19)18-12/h2-6,10,12,14H,7-9,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide?
3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(5-oxopyrrolidin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 80552772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).