(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C13H17N3O2 — CID 100804799

IUPAC(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(N)ccc1N1C[C@H](C(N)=O)CC1=O
InChIInChI=1S/C13H17N3O2/c1-2-8-5-10(14)3-4-11(8)16-7-9(13(15)18)6-12(16)17/h3-5,9H,2,6-7,14H2,1H3,(H2,15,18)/t9-/m1/s1
InChIKeyPINFHXDFIQAWAM-SECBINFHSA-N
MW247.30 g/mol
LogP0.67
Rot. Bonds3

About (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 100804799) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID100804799
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(N)ccc1N1C[C@H](C(N)=O)CC1=O
InChIInChI=1S/C13H17N3O2/c1-2-8-5-10(14)3-4-11(8)16-7-9(13(15)18)6-12(16)17/h3-5,9H,2,6-7,14H2,1H3,(H2,15,18)/t9-/m1/s1
InChIKeyPINFHXDFIQAWAM-SECBINFHSA-N
XLogP0.67
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 100804800
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696281
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 94675568
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
(3S)-1-(4-carbamoyl-2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076113
1-(4-bromo-3-ethyl-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50880480
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 100804799) is (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCc1cc(N)ccc1N1C[C@H](C(N)=O)CC1=O.
What is the InChIKey of (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PINFHXDFIQAWAM-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-8-5-10(14)3-4-11(8)16-7-9(13(15)18)6-12(16)17/h3-5,9H,2,6-7,14H2,1H3,(H2,15,18)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 100804799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).