(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide

C19H21N3O4 — CID 58982544

IUPAC(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
SMILESCC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O4/c1-11-14(10-17(23)26-11)21-18(24)16-7-4-8-22(16)19(25)15-9-12-5-2-3-6-13(12)20-15/h2-3,5-6,9,11,14,16,20H,4,7-8,10H2,1H3,(H,21,24)/t11?,14-,16-/m0/s1
InChIKeySKGDPGUJYDUMQY-VYIWWYPRSA-N
MW355.39 g/mol
LogP1.59
Rot. Bonds3

About (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide

(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide (PubChem CID 58982544) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
PubChem CID58982544
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
SMILESCC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H21N3O4/c1-11-14(10-17(23)26-11)21-18(24)16-7-4-8-22(16)19(25)15-9-12-5-2-3-6-13(12)20-15/h2-3,5-6,9,11,14,16,20H,4,7-8,10H2,1H3,(H,21,24)/t11?,14-,16-/m0/s1
InChIKeySKGDPGUJYDUMQY-VYIWWYPRSA-N
XLogP1.59
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide (CID 58982544) is (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide is CC1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is SKGDPGUJYDUMQY-VYIWWYPRSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11-14(10-17(23)26-11)21-18(24)16-7-4-8-22(16)19(25)15-9-12-5-2-3-6-13(12)20-15/h2-3,5-6,9,11,14,16,20H,4,7-8,10H2,1H3,(H,21,24)/t11?,14-,16-/m0/s1.
What are the key properties of (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide?
(2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indole-2-carbonyl)-N-[(3S)-2-methyl-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58982544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).