(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide

C15H21N3O3 — CID 119328850

IUPAC(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccc(CN2CCC(NC(=O)[C@@H](C)N)C2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-10(16)14(19)17-13-7-8-18(15(13)20)9-11-3-5-12(21-2)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,19)/t10-,13?/m1/s1
InChIKeyGGFJHBPYWILPCV-VUUHIHSGSA-N
MW291.35 g/mol
LogP0.26
Rot. Bonds5

About (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide

(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 119328850) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
PubChem CID119328850
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
SMILESCOc1ccc(CN2CCC(NC(=O)[C@@H](C)N)C2=O)cc1
InChIInChI=1S/C15H21N3O3/c1-10(16)14(19)17-13-7-8-18(15(13)20)9-11-3-5-12(21-2)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,19)/t10-,13?/m1/s1
InChIKeyGGFJHBPYWILPCV-VUUHIHSGSA-N
XLogP0.26
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide (CID 119328850) is (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide is COc1ccc(CN2CCC(NC(=O)[C@@H](C)N)C2=O)cc1.
What is the InChIKey of (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is GGFJHBPYWILPCV-VUUHIHSGSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10(16)14(19)17-13-7-8-18(15(13)20)9-11-3-5-12(21-2)6-4-11/h3-6,10,13H,7-9,16H2,1-2H3,(H,17,19)/t10-,13?/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide?
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 119328850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).