(2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide

About (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide

(2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 171088237) has the molecular formula C27H34N4O4 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	(2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide
PubChem CID	171088237
Molecular Formula	C27H34N4O4
Molecular Weight	478.59 g/mol
Exact Mass	478.26
IUPAC Name	(2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide
SMILES	O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1
InChI	InChI=1S/C27H34N4O4/c32-16-21(12-19-10-11-28-25(19)33)29-26(34)24-14-20(17-6-2-1-3-7-17)15-31(24)27(35)23-13-18-8-4-5-9-22(18)30-23/h4-5,8-9,13,16-17,19-21,24,30H,1-3,6-7,10-12,14-15H2,(H,28,33)(H,29,34)/t19-,20+,21-,24-/m0/s1
InChIKey	HDWYYBALLQSFBO-XARGGIHNSA-N
XLogP	2.79
TPSA	111.37 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.59
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide (CID 171088237) is (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide is O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1cc2ccccc2[nH]1.

What is the InChIKey of (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide?

The InChIKey is HDWYYBALLQSFBO-XARGGIHNSA-N. The full InChI is InChI=1S/C27H34N4O4/c32-16-21(12-19-10-11-28-25(19)33)29-26(34)24-14-20(17-6-2-1-3-7-17)15-31(24)27(35)23-13-18-8-4-5-9-22(18)30-23/h4-5,8-9,13,16-17,19-21,24,30H,1-3,6-7,10-12,14-15H2,(H,28,33)(H,29,34)/t19-,20+,21-,24-/m0/s1.

What are the key properties of (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide?

(2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-4-cyclohexyl-1-(1H-indole-2-carbonyl)-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 171088237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).