(2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide

C24H39N5O4 — CID 163476419

About (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide

(2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide (PubChem CID 163476419) has the molecular formula C24H39N5O4 and a molecular weight of 461.61 g/mol. Its IUPAC name is (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 163476419
• Molecular Formula: C24H39N5O4
• Molecular Weight: 461.61 g/mol
• Exact Mass: 461.30
• IUPAC Name: (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCC(C)(C)NC1=O)C(C)(C)C
• InChI: InChI=1S/C24H39N5O4/c1-14(30)26-19(23(2,3)4)22(33)28-18(11-15-7-8-15)21(32)27-17(13-25)12-16-9-10-24(5,6)29-20(16)31/h15-19H,7-12H2,1-6H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t16-,17-,18-,19+/m0/s1
• InChIKey: CAUYAARFFPQEQH-CADBVGFASA-N
• XLogP: 1.53
• TPSA: 140.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.61
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide (CID 163476419) is (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide is CC(=O)N[C@H](C(=O)N[C@@H](CC1CC1)C(=O)N[C@H](C#N)C[C@@H]1CCC(C)(C)NC1=O)C(C)(C)C.

What is the InChIKey of (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?

The InChIKey is CAUYAARFFPQEQH-CADBVGFASA-N. The full InChI is InChI=1S/C24H39N5O4/c1-14(30)26-19(23(2,3)4)22(33)28-18(11-15-7-8-15)21(32)27-17(13-25)12-16-9-10-24(5,6)29-20(16)31/h15-19H,7-12H2,1-6H3,(H,26,30)(H,27,32)(H,28,33)(H,29,31)/t16-,17-,18-,19+/m0/s1.

What are the key properties of (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide?

(2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide has a molecular weight of 461.61 g/mol, XLogP of 1.53, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-acetamido-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-6,6-dimethyl-2-oxopiperidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 163476419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).