(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide

C13H19N3O2 — CID 97206514

IUPAC(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCn2cccc2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-2-16-10-11(9-12(16)17)13(18)14-5-8-15-6-3-4-7-15/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeySRLPGFLXHSJQLG-NSHDSACASA-N
MW249.31 g/mol
LogP0.47
Rot. Bonds5

About (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide

(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 97206514) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
PubChem CID97206514
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN1C[C@@H](C(=O)NCCn2cccc2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-2-16-10-11(9-12(16)17)13(18)14-5-8-15-6-3-4-7-15/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,14,18)/t11-/m0/s1
InChIKeySRLPGFLXHSJQLG-NSHDSACASA-N
XLogP0.47
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206513
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 72916628
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
N,1-didodecyl-5-oxopyrrolidine-3-carboxamide
CID 66680655
(3R)-1-ethyl-5-oxo-N-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 97123545
(3R)-1-ethyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97151656
1-(2-methylpropyl)-5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-3-carboxamide
CID 47025566
(3R)-1-ethyl-5-oxo-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 97190159
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide (CID 97206514) is (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide is CCN1C[C@@H](C(=O)NCCn2cccc2)CC1=O.
What is the InChIKey of (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is SRLPGFLXHSJQLG-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-16-10-11(9-12(16)17)13(18)14-5-8-15-6-3-4-7-15/h3-4,6-7,11H,2,5,8-10H2,1H3,(H,14,18)/t11-/m0/s1.
What are the key properties of (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide?
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97206514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).