(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate

C15H15N2O3- — CID 6967212

IUPAC(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H16N2O3/c18-14-7-11(15(19)20)9-17(14)6-5-10-8-16-13-4-2-1-3-12(10)13/h1-4,8,11,16H,5-7,9H2,(H,19,20)/p-1/t11-/m0/s1
InChIKeyQCPHUNJWOAQNTN-NSHDSACASA-M
MW271.30 g/mol
LogP0.31
Rot. Bonds4

About (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate

(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate (PubChem CID 6967212) has the molecular formula C15H15N2O3- and a molecular weight of 271.30 g/mol. Its IUPAC name is (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
PubChem CID6967212
Molecular FormulaC15H15N2O3-
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H16N2O3/c18-14-7-11(15(19)20)9-17(14)6-5-10-8-16-13-4-2-1-3-12(10)13/h1-4,8,11,16H,5-7,9H2,(H,19,20)/p-1/t11-/m0/s1
InChIKeyQCPHUNJWOAQNTN-NSHDSACASA-M
XLogP0.31
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
N-(furan-2-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42882017
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 168697287
methyl (4aS,8aS)-2-[2-(1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,7,8,8a-hexahydroisoquinoline-5-carboxylate
CID 11131923
(3R)-1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92717730

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate (CID 6967212) is (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
The InChIKey is QCPHUNJWOAQNTN-NSHDSACASA-M. The full InChI is InChI=1S/C15H16N2O3/c18-14-7-11(15(19)20)9-17(14)6-5-10-8-16-13-4-2-1-3-12(10)13/h1-4,8,11,16H,5-7,9H2,(H,19,20)/p-1/t11-/m0/s1.
What are the key properties of (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate?
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate has a molecular weight of 271.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6967212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).