[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

C22H37N3O5 — CID 155570132

About [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 155570132) has the molecular formula C22H37N3O5 and a molecular weight of 423.55 g/mol. Its IUPAC name is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

• Compound Name: [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• PubChem CID: 155570132
• Molecular Formula: C22H37N3O5
• Molecular Weight: 423.55 g/mol
• Exact Mass: 423.27
• IUPAC Name: [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C22H37N3O5/c1-13(2)7-19(21(28)24-18(11-26)10-16-5-6-23-20(16)27)25-22(29)30-12-17-9-14-3-4-15(17)8-14/h13-19,26H,3-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t14-,15+,16-,17+,18-,19-/m0/s1
• InChIKey: FEGNHFHWJFBIFN-WXJALIKYSA-N
• XLogP: 1.57
• TPSA: 116.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.55
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The IUPAC name of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate (CID 155570132) is [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate.

What is the SMILES notation for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The canonical SMILES for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC[C@H]1C[C@H]2CC[C@@H]1C2)C(=O)N[C@H](CO)C[C@@H]1CCNC1=O.

What is the InChIKey of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

The InChIKey is FEGNHFHWJFBIFN-WXJALIKYSA-N. The full InChI is InChI=1S/C22H37N3O5/c1-13(2)7-19(21(28)24-18(11-26)10-16-5-6-23-20(16)27)25-22(29)30-12-17-9-14-3-4-15(17)8-14/h13-19,26H,3-12H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)/t14-,15+,16-,17+,18-,19-/m0/s1.

What are the key properties of [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate?

[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 423.55 g/mol, XLogP of 1.57, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl N-[(2S)-1-[[(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 155570132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).