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

C17H26ClN3O3 — CID 120501604

IUPAC3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12(13(2)18)17(22)19-14-10-16(21)20(11-14)8-9-23-15-6-4-3-5-7-15;/h3-7,12-14H,8-11,18H2,1-2H3,(H,19,22);1H
InChIKeyXWHNZUHGMVDYGF-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.19
Rot. Bonds7

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

3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride (PubChem CID 120501604) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
PubChem CID120501604
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride
SMILESCC(N)C(C)C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-12(13(2)18)17(22)19-14-10-16(21)20(11-14)8-9-23-15-6-4-3-5-7-15;/h3-7,12-14H,8-11,18H2,1-2H3,(H,19,22);1H
InChIKeyXWHNZUHGMVDYGF-UHFFFAOYSA-N
XLogP1.19
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.19
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
2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
CID 119803358
2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
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-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
CID 146077438
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 120636021
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119334859
4-hydroxy-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119803338
(4R)-4-[[(1R)-1-(2-methylpyrazol-3-yl)ethyl]amino]-1-(2-phenoxyethyl)pyrrolidin-2-one
CID 124625420
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]-2-pyrrolidin-2-ylacetamide
CID 119803364
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-3-phenoxypropanamide
CID 45224983

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride (CID 120501604) is 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride is CC(N)C(C)C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
The InChIKey is XWHNZUHGMVDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-12(13(2)18)17(22)19-14-10-16(21)20(11-14)8-9-23-15-6-4-3-5-7-15;/h3-7,12-14H,8-11,18H2,1-2H3,(H,19,22);1H.
What are the key properties of 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride?
3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]butanamide;hydrochloride is sourced from PubChem (CID 120501604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).