(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H27N3O2 — CID 100904838

IUPAC(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC[C@H](C)N(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-4-14(2)20(3)11-10-19-18(23)15-12-17(22)21(13-15)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyWEODCYLREYJOOQ-GJZGRUSLSA-N
MW317.43 g/mol
LogP1.89
Rot. Bonds7

About (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 100904838) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID100904838
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC[C@H](C)N(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H27N3O2/c1-4-14(2)20(3)11-10-19-18(23)15-12-17(22)21(13-15)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyWEODCYLREYJOOQ-GJZGRUSLSA-N
XLogP1.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
(3R)-5-oxo-N-pentan-3-yl-1-phenylpyrrolidine-3-carboxamide
CID 7438121
N-(3-hydroxy-3-phenylpropyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 90499575
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110421652
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
N-(2-butan-2-ylphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080589
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 100904838) is (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC[C@H](C)N(C)CCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WEODCYLREYJOOQ-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-14(2)20(3)11-10-19-18(23)15-12-17(22)21(13-15)16-8-6-5-7-9-16/h5-9,14-15H,4,10-13H2,1-3H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 100904838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).