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

C18H27N3O3 — CID 119803358

IUPAC2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-3-13(2)17(19)18(23)20-14-11-16(22)21(12-14)9-10-24-15-7-5-4-6-8-15/h4-8,13-14,17H,3,9-12,19H2,1-2H3,(H,20,23)
InChIKeyDUSMAJPPYWABIR-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.16
Rot. Bonds8

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

2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide (PubChem CID 119803358) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
PubChem CID119803358
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide
SMILESCCC(C)C(N)C(=O)NC1CC(=O)N(CCOc2ccccc2)C1
InChIInChI=1S/C18H27N3O3/c1-3-13(2)17(19)18(23)20-14-11-16(22)21(12-14)9-10-24-15-7-5-4-6-8-15/h4-8,13-14,17H,3,9-12,19H2,1-2H3,(H,20,23)
InChIKeyDUSMAJPPYWABIR-UHFFFAOYSA-N
XLogP1.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.16
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
ethyl N-[(2S)-3-methyl-1-oxo-1-[[(3R)-5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]amino]butan-2-yl]carbamate
CID 96509307
2-amino-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119334857
N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]prop-2-enamide
CID 146077438
2-amino-3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)pentanamide
CID 119758230
2-(2-methoxyethylamino)-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]acetamide
CID 119803366
5-amino-2-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 120636021
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide (CID 119803358) is 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide is CCC(C)C(N)C(=O)NC1CC(=O)N(CCOc2ccccc2)C1.
What is the InChIKey of 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide?
The InChIKey is DUSMAJPPYWABIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-13(2)17(19)18(23)20-14-11-16(22)21(12-14)9-10-24-15-7-5-4-6-8-15/h4-8,13-14,17H,3,9-12,19H2,1-2H3,(H,20,23).
What are the key properties of 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide?
2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide has a molecular weight of 333.43 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[5-oxo-1-(2-phenoxyethyl)pyrrolidin-3-yl]pentanamide is sourced from PubChem (CID 119803358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).