3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide

About 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide

3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 166936446) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID	166936446
Molecular Formula	C28H35N5O5
Molecular Weight	521.62 g/mol
Exact Mass	521.26
IUPAC Name	3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
SMILES	CC(C)NC(=O)C(=O)C(CC1CCNC1=O)NC(=O)C1C(C2CC2)CCN1C(=O)c1cc2ccccc2[nH]1
InChI	InChI=1S/C28H35N5O5/c1-15(2)30-27(37)24(34)21(14-18-9-11-29-25(18)35)32-26(36)23-19(16-7-8-16)10-12-33(23)28(38)22-13-17-5-3-4-6-20(17)31-22/h3-6,13,15-16,18-19,21,23,31H,7-12,14H2,1-2H3,(H,29,35)(H,30,37)(H,32,36)
InChIKey	COCJCDMNMYAWQC-UHFFFAOYSA-N
XLogP	1.51
TPSA	140.47 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.62
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?

The IUPAC name of 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide (CID 166936446) is 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide.

What is the SMILES notation for 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?

The canonical SMILES for 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide is CC(C)NC(=O)C(=O)C(CC1CCNC1=O)NC(=O)C1C(C2CC2)CCN1C(=O)c1cc2ccccc2[nH]1.

What is the InChIKey of 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?

The InChIKey is COCJCDMNMYAWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-15(2)30-27(37)24(34)21(14-18-9-11-29-25(18)35)32-26(36)23-19(16-7-8-16)10-12-33(23)28(38)22-13-17-5-3-4-6-20(17)31-22/h3-6,13,15-16,18-19,21,23,31H,7-12,14H2,1-2H3,(H,29,35)(H,30,37)(H,32,36).

What are the key properties of 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide?

3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 1.51, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-N-[3,4-dioxo-1-(2-oxopyrrolidin-3-yl)-4-(propan-2-ylamino)butan-2-yl]-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 166936446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).