1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

C30H45ClN4O4 — CID 69121405

About 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride

1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 69121405) has the molecular formula C30H45ClN4O4 and a molecular weight of 561.17 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
• PubChem CID: 69121405
• Molecular Formula: C30H45ClN4O4
• Molecular Weight: 561.17 g/mol
• Exact Mass: 560.31
• IUPAC Name: 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
• SMILES: CC(C)CNC[C@H](O)CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN1C(=O)C(C)(C)C.Cl
• InChI: InChI=1S/C30H44N4O4.ClH/c1-20(2)17-31-18-24(35)19-32-27(36)25(16-21-12-13-22-9-6-7-10-23(22)15-21)33-28(37)26-11-8-14-34(26)29(38)30(3,4)5;/h6-7,9-10,12-13,15,20,24-26,31,35H,8,11,14,16-19H2,1-5H3,(H,32,36)(H,33,37);1H/t24-,25+,26?;/m0./s1
• InChIKey: QCWVXHPPSIOSMF-WPODREQZSA-N
• XLogP: 3.05
• TPSA: 110.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.17
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride (CID 69121405) is 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride.

What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)CNC[C@H](O)CNC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCCN1C(=O)C(C)(C)C.Cl.

What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

The InChIKey is QCWVXHPPSIOSMF-WPODREQZSA-N. The full InChI is InChI=1S/C30H44N4O4.ClH/c1-20(2)17-31-18-24(35)19-32-27(36)25(16-21-12-13-22-9-6-7-10-23(22)15-21)33-28(37)26-11-8-14-34(26)29(38)30(3,4)5;/h6-7,9-10,12-13,15,20,24-26,31,35H,8,11,14,16-19H2,1-5H3,(H,32,36)(H,33,37);1H/t24-,25+,26?;/m0./s1.

What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride?

1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 561.17 g/mol, XLogP of 3.05, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-dimethylpropanoyl)-N-[(2R)-1-[[(2S)-2-hydroxy-3-(2-methylpropylamino)propyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 69121405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).