2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C14H19N3O3 — CID 81088851

IUPAC2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H19N3O3/c1-20-9-12(15)14(19)16-10-4-2-5-11(8-10)17-7-3-6-13(17)18/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,19)
InChIKeyDEWKOIPADZPJEM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 81088851) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID81088851
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOCC(N)C(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C14H19N3O3/c1-20-9-12(15)14(19)16-10-4-2-5-11(8-10)17-7-3-6-13(17)18/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,19)
InChIKeyDEWKOIPADZPJEM-UHFFFAOYSA-N
XLogP0.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
CID 120989674
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
3-amino-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-phenylpropanamide
CID 119692837
2-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-methoxypropanamide
CID 120985942
(2R)-2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-phenylacetamide
CID 124626736
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119724509
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
2-(3-fluorophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 86926058
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
CID 120983461
3-amino-2-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]-3-phenylpropanamide
CID 119724510

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 81088851) is 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is COCC(N)C(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is DEWKOIPADZPJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-9-12(15)14(19)16-10-4-2-5-11(8-10)17-7-3-6-13(17)18/h2,4-5,8,12H,3,6-7,9,15H2,1H3,(H,16,19).
What are the key properties of 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 277.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 81088851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).