(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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Related Compounds

(2S)-N,N-diethyl-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 95196207
methyl (2S)-1-(1H-indole-2-carbonyl)piperidine-2-carboxylate
CID 93317948
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
methyl (2S)-3-hydroxy-2-[[(2R,3R)-2-hydroxy-3-[[(2S)-1-(1H-indole-2-carbonyl)pyrrolidine-2-carbonyl]amino]-4-sulfanylbutanoyl]amino]propanoate
CID 139814206
[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-(1H-indol-2-yl)methanone
CID 41141951
1H-indol-2-yl-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56820473
methyl 4-(1H-indole-2-carbonyl)morpholine-3-carboxylate
CID 115670212
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
7-benzamido-N-(2-methyl-5-oxooxolan-3-yl)-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 22955105
(7S)-7-benzamido-N-[(3S)-2-methyl-5-oxooxolan-3-yl]-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a]diazepine-4-carboxamide
CID 59960853
2-benzamido-N-(2-methyl-5-oxooxolan-3-yl)-1,5-dioxo-3,4,7,8,9,10-hexahydropyridazino[1,2-a][1,2,4]triazepine-10-carboxamide
CID 22955104

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).