(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide

C21H27N3O3 — CID 95098696

About (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95098696) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
• PubChem CID: 95098696
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.21
• IUPAC Name: (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
• SMILES: CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1
• InChI: InChI=1S/C21H27N3O3/c1-3-13(2)22-20(26)16-11-19(25)24(12-16)17-6-7-18-15(10-17)8-9-23(18)21(27)14-4-5-14/h6-7,10,13-14,16H,3-5,8-9,11-12H2,1-2H3,(H,22,26)/t13-,16+/m0/s1
• InChIKey: VIOJTCUXLIGCRX-XJKSGUPXSA-N
• XLogP: 2.25
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 95098696) is (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide is CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1.

What is the InChIKey of (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide?

The InChIKey is VIOJTCUXLIGCRX-XJKSGUPXSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-13(2)22-20(26)16-11-19(25)24(12-16)17-6-7-18-15(10-17)8-9-23(18)21(27)14-4-5-14/h6-7,10,13-14,16H,3-5,8-9,11-12H2,1-2H3,(H,22,26)/t13-,16+/m0/s1.

What are the key properties of (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide?

(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95098696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).