(2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

C32H55N5O4 — CID 59234290

About (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide

(2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 59234290) has the molecular formula C32H55N5O4 and a molecular weight of 573.82 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
• PubChem CID: 59234290
• Molecular Formula: C32H55N5O4
• Molecular Weight: 573.82 g/mol
• Exact Mass: 573.43
• IUPAC Name: (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
• SMILES: C=CCNC(=O)[C@@H]1CCCN1C(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C
• InChI: InChI=1S/C32H55N5O4/c1-11-17-33-28(38)24-16-14-19-37(24)30(40)23(6)20-26(21(2)3)35(10)31(41)27(32(7,8)9)34-29(39)25-15-12-13-18-36(25)22(4)5/h11,20-22,24-27H,1,12-19H2,2-10H3,(H,33,38)(H,34,39)/b23-20+/t24-,25+,26+,27+/m0/s1
• InChIKey: SVHBFRDPSMTDCO-ZCBHIZMTSA-N
• XLogP: 3.50
• TPSA: 102.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.82
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The IUPAC name of (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide (CID 59234290) is (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide.

What is the SMILES notation for (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The canonical SMILES for (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is C=CCNC(=O)[C@@H]1CCCN1C(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C.

What is the InChIKey of (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

The InChIKey is SVHBFRDPSMTDCO-ZCBHIZMTSA-N. The full InChI is InChI=1S/C32H55N5O4/c1-11-17-33-28(38)24-16-14-19-37(24)30(40)23(6)20-26(21(2)3)35(10)31(41)27(32(7,8)9)34-29(39)25-15-12-13-18-36(25)22(4)5/h11,20-22,24-27H,1,12-19H2,2-10H3,(H,33,38)(H,34,39)/b23-20+/t24-,25+,26+,27+/m0/s1.

What are the key properties of (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide?

(2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 573.82 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-[[(E,3S)-2,5-dimethyl-6-oxo-6-[(2S)-2-(prop-2-enylcarbamoyl)pyrrolidin-1-yl]hex-4-en-3-yl]-methylamino]-3,3-dimethyl-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 59234290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).