tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate

C24H33N5O5 — CID 161108739

About tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate

tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate (PubChem CID 161108739) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate
• PubChem CID: 161108739
• Molecular Formula: C24H33N5O5
• Molecular Weight: 471.56 g/mol
• Exact Mass: 471.25
• IUPAC Name: tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate
• SMILES: Cc1ccn([C@@H](CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c(=O)c1NC(=O)OC(C)(C)C
• InChI: InChI=1S/C24H33N5O5/c1-14-8-10-29(22(32)19(14)28-23(33)34-24(2,3)4)18(11-15-5-6-15)21(31)27-17(13-25)12-16-7-9-26-20(16)30/h8,10,15-18H,5-7,9,11-12H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1
• InChIKey: UJKKNTZPFVPSSL-BZSNNMDCSA-N
• XLogP: 2.38
• TPSA: 142.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.56
LogP ≤ 5	2.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate?

The IUPAC name of tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate (CID 161108739) is tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate is Cc1ccn([C@@H](CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c(=O)c1NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate?

The InChIKey is UJKKNTZPFVPSSL-BZSNNMDCSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-14-8-10-29(22(32)19(14)28-23(33)34-24(2,3)4)18(11-15-5-6-15)21(31)27-17(13-25)12-16-7-9-26-20(16)30/h8,10,15-18H,5-7,9,11-12H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1.

What are the key properties of tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate?

tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate has a molecular weight of 471.56 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-methyl-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 161108739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).