2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride

C14H20ClN3O3 — CID 119334857

IUPAC2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C14H19N3O3.ClH/c15-9-13(18)16-11-8-14(19)17(10-11)6-7-20-12-4-2-1-3-5-12;/h1-5,11H,6-10,15H2,(H,16,18);1H
InChIKeyXUMJQKUMTJDUQV-UHFFFAOYSA-N
MW313.78 g/mol
LogP0.16
Rot. Bonds6

About 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride

2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride (PubChem CID 119334857) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
PubChem CID119334857
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
SMILESCl.NCC(=O)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C14H19N3O3.ClH/c15-9-13(18)16-11-8-14(19)17(10-11)6-7-20-12-4-2-1-3-5-12;/h1-5,11H,6-10,15H2,(H,16,18);1H
InChIKeyXUMJQKUMTJDUQV-UHFFFAOYSA-N
XLogP0.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]propanamide;hydrochloride
CID 119334873
3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
CID 120501604
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
CID 146077438
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119334859
2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
CID 119803358
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119803364
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 120636021
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983
4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119803338
ethyl N-[(2S)-3-methyl-1-oxo-1-[[(3R)-5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]amino]butan-2-yl]carbamate
CID 96509307
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-phenoxyacetamide
CID 26397202

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride (CID 119334857) is 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride is Cl.NCC(=O)NC1CC(=O)N(CCOc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride?
The InChIKey is XUMJQKUMTJDUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.ClH/c15-9-13(18)16-11-8-14(19)17(10-11)6-7-20-12-4-2-1-3-5-12;/h1-5,11H,6-10,15H2,(H,16,18);1H.
What are the key properties of 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride?
2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 119334857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).