(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide

C20H27N3O4 — CID 95089235

IUPAC(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C20H27N3O4/c1-13(27-2)19(25)21-15-6-5-7-16(11-15)22-20(26)14-10-18(24)23(12-14)17-8-3-4-9-17/h5-7,11,13-14,17H,3-4,8-10,12H2,1-2H3,(H,21,25)(H,22,26)/t13-,14+/m0/s1
InChIKeyQNLZMNXZVLINOR-UONOGXRCSA-N
MW373.45 g/mol
LogP2.39
Rot. Bonds6

About (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95089235) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95089235
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C20H27N3O4/c1-13(27-2)19(25)21-15-6-5-7-16(11-15)22-20(26)14-10-18(24)23(12-14)17-8-3-4-9-17/h5-7,11,13-14,17H,3-4,8-10,12H2,1-2H3,(H,21,25)(H,22,26)/t13-,14+/m0/s1
InChIKeyQNLZMNXZVLINOR-UONOGXRCSA-N
XLogP2.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46568551
(3S)-1-cyclopentyl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364552
(3S)-N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 1116191
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335
N-(3-cyclopentyloxyphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 42949314
1-cycloheptyl-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113185547
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953295
(3S)-1-cyclopentyl-N-[3-(cyclopropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 27447746
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 95089235) is (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide is CO[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QNLZMNXZVLINOR-UONOGXRCSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-13(27-2)19(25)21-15-6-5-7-16(11-15)22-20(26)14-10-18(24)23(12-14)17-8-3-4-9-17/h5-7,11,13-14,17H,3-4,8-10,12H2,1-2H3,(H,21,25)(H,22,26)/t13-,14+/m0/s1.
What are the key properties of (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-[3-[[(2S)-2-methoxypropanoyl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95089235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).