(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one

C19H19N3O — CID 10518687

IUPAC(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
SMILESN[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O/c20-18-16(15-10-21-17-9-5-4-8-14(15)17)12-22(19(18)23)11-13-6-2-1-3-7-13/h1-10,16,18,21H,11-12,20H2/t16-,18+/m1/s1
InChIKeyMOLADXMEYUYPPG-AEFFLSMTSA-N
MW305.38 g/mol
LogP2.62
Rot. Bonds3

About (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one

(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one (PubChem CID 10518687) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
PubChem CID10518687
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one
SMILESN[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1c1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O/c20-18-16(15-10-21-17-9-5-4-8-14(15)17)12-22(19(18)23)11-13-6-2-1-3-7-13/h1-10,16,18,21H,11-12,20H2/t16-,18+/m1/s1
InChIKeyMOLADXMEYUYPPG-AEFFLSMTSA-N
XLogP2.62
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-amino-1-benzyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 156784354
4-benzyl-2-(1H-indol-3-ylmethyl)morpholin-3-one
CID 10245452
4-benzyl-8-phenyl-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11,13,15-tetraen-5-one
CID 85171332
(5R)-1-benzyl-5-(5-bromo-1H-indol-3-yl)pyrrolidin-2-one
CID 101487876
(3aS,6aR)-2-(1H-indol-3-ylmethyl)-5-(2-phenylethyl)-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 91916068
3-benzylimino-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione
CID 90936802
(5R)-1-benzyl-5-(5-ethenyl-1H-indol-3-yl)pyrrolidin-2-one
CID 101487875
1-benzyl-5-(1H-indol-3-yl)-5,6,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 74925884
(3S,4S)-1-benzyl-3-chloro-4-(chloromethyl)pyrrolidin-2-one
CID 101020826
(3R)-3-(1H-indol-3-yl)-1-phenylpyrrolidine-2,5-dione
CID 919331
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one?
The IUPAC name of (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one (CID 10518687) is (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one is N[C@@H]1C(=O)N(Cc2ccccc2)C[C@@H]1c1c[nH]c2ccccc12.
What is the InChIKey of (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one?
The InChIKey is MOLADXMEYUYPPG-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H19N3O/c20-18-16(15-10-21-17-9-5-4-8-14(15)17)12-22(19(18)23)11-13-6-2-1-3-7-13/h1-10,16,18,21H,11-12,20H2/t16-,18+/m1/s1.
What are the key properties of (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one?
(3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-benzyl-4-(1H-indol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 10518687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).