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

C23H31N5O5 — CID 162478760

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

tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate (PubChem CID 162478760) has the molecular formula C23H31N5O5 and a molecular weight of 457.53 g/mol. Its IUPAC name is tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
• PubChem CID: 162478760
• Molecular Formula: C23H31N5O5
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.23
• IUPAC Name: tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate
• SMILES: CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c1=O
• InChI: InChI=1S/C23H31N5O5/c1-23(2,3)33-22(32)27-17-5-4-10-28(21(17)31)18(11-14-6-7-14)20(30)26-16(13-24)12-15-8-9-25-19(15)29/h4-5,10,14-16,18H,6-9,11-12H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t15-,16-,18+/m0/s1
• InChIKey: XCUBWXZDVVQNKG-XYJFISCASA-N
• XLogP: 2.07
• TPSA: 142.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate (CID 162478760) is tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate.

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

The canonical SMILES for tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1cccn([C@H](CC2CC2)C(=O)N[C@H](C#N)C[C@@H]2CCNC2=O)c1=O.

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

The InChIKey is XCUBWXZDVVQNKG-XYJFISCASA-N. The full InChI is InChI=1S/C23H31N5O5/c1-23(2,3)33-22(32)27-17-5-4-10-28(21(17)31)18(11-14-6-7-14)20(30)26-16(13-24)12-15-8-9-25-19(15)29/h4-5,10,14-16,18H,6-9,11-12H2,1-3H3,(H,25,29)(H,26,30)(H,27,32)/t15-,16-,18+/m0/s1.

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

tert-butyl N-[1-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate has a molecular weight of 457.53 g/mol, XLogP of 2.07, 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-[(2R)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-2-oxo-3-pyridinyl]carbamate is sourced from PubChem (CID 162478760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).