Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate

C₁₃H₂₄N₂O₂ — CID 167504165

About Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate

Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 167504165) has the molecular formula C₁₃H₂₄N₂O₂ and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

• Compound Name: Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
• PubChem CID: 167504165
• Molecular Formula: C₁₃H₂₄N₂O₂
• Molecular Weight: 240.35 g/mol
• Exact Mass: 240.18
• IUPAC Name: tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N([C@H]1CCNC1)C1(C)CC1
• InChI: InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15(13(4)6-7-13)10-5-8-14-9-10/h10,14H,5-9H2,1-4H3/t10-/m0/s1
• InChIKey: FIXSKOUXCGSTQK-JTQLQIEISA-N
• XLogP: 2.14
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	240.35
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate?

The IUPAC name of Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 167504165) is tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate.

What is the SMILES notation for Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate?

The canonical SMILES for Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N([C@H]1CCNC1)C1(C)CC1.

What is the InChIKey of Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate?

The InChIKey is FIXSKOUXCGSTQK-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15(13(4)6-7-13)10-5-8-14-9-10/h10,14H,5-9H2,1-4H3/t10-/m0/s1.

What are the key properties of Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate?

Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 167504165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 167504165 — identifiers, structure, computed properties (public domain)

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