(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide

C16H21N3O3 — CID 94076368

IUPAC(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCCCC(=O)Nc1cccc(N2C[C@H](C(N)=O)CC2=O)c1
InChIInChI=1S/C16H21N3O3/c1-2-3-7-14(20)18-12-5-4-6-13(9-12)19-10-11(16(17)22)8-15(19)21/h4-6,9,11H,2-3,7-8,10H2,1H3,(H2,17,22)(H,18,20)/t11-/m1/s1
InChIKeyJIJKDLWBWWYEON-LLVKDONJSA-N
MW303.36 g/mol
LogP1.65
Rot. Bonds6

About (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide

(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide (PubChem CID 94076368) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
PubChem CID94076368
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
SMILESCCCCC(=O)Nc1cccc(N2C[C@H](C(N)=O)CC2=O)c1
InChIInChI=1S/C16H21N3O3/c1-2-3-7-14(20)18-12-5-4-6-13(9-12)19-10-11(16(17)22)8-15(19)21/h4-6,9,11H,2-3,7-8,10H2,1H3,(H2,17,22)(H,18,20)/t11-/m1/s1
InChIKeyJIJKDLWBWWYEON-LLVKDONJSA-N
XLogP1.65
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carboxylic acid
CID 50874012
(3R)-5-oxo-1-[3-(propanoylamino)phenyl]pyrrolidine-3-carbonyl chloride
CID 94076327
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
(3S)-5-oxo-1-[3-[(2-phenylacetyl)amino]phenyl]pyrrolidine-3-carboxylic acid
CID 95121101
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
1-(3-acetamidophenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113189037
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]pentanamide
CID 7255137
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
1-[2-methyl-5-(propanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696156

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide (CID 94076368) is (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide is CCCCC(=O)Nc1cccc(N2C[C@H](C(N)=O)CC2=O)c1.
What is the InChIKey of (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide?
The InChIKey is JIJKDLWBWWYEON-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-3-7-14(20)18-12-5-4-6-13(9-12)19-10-11(16(17)22)8-15(19)21/h4-6,9,11H,2-3,7-8,10H2,1H3,(H2,17,22)(H,18,20)/t11-/m1/s1.
What are the key properties of (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94076368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).