3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride

C14H20ClN3O2 — CID 119781200

IUPAC3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(15)9-13(18)16-12-7-8-17(14(12)19)11-5-3-2-4-6-11;/h2-6,10,12H,7-9,15H2,1H3,(H,16,18);1H
InChIKeyIKCTYFNVSHNQMH-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.07
Rot. Bonds4

About 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride

3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride (PubChem CID 119781200) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
PubChem CID119781200
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCN(c2ccccc2)C1=O.Cl
InChIInChI=1S/C14H19N3O2.ClH/c1-10(15)9-13(18)16-12-7-8-17(14(12)19)11-5-3-2-4-6-11;/h2-6,10,12H,7-9,15H2,1H3,(H,16,18);1H
InChIKeyIKCTYFNVSHNQMH-UHFFFAOYSA-N
XLogP1.07
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119814144
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CID 120563803
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
3-amino-N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951802
N-(2-oxo-1-phenylpiperidin-3-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119787611
methyl 2-[3-(3-aminobutanoylamino)-2-oxopyrrolidin-1-yl]thiophene-3-carboxylate;hydrochloride
CID 119818389
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
2-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-phenylpropanamide
CID 120592079
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
(2R)-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-2-phenylbutanamide
CID 95234374
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride (CID 119781200) is 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride is CC(N)CC(=O)NC1CCN(c2ccccc2)C1=O.Cl.
What is the InChIKey of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
The InChIKey is IKCTYFNVSHNQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2.ClH/c1-10(15)9-13(18)16-12-7-8-17(14(12)19)11-5-3-2-4-6-11;/h2-6,10,12H,7-9,15H2,1H3,(H,16,18);1H.
What are the key properties of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride?
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 119781200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).