Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate

C₁₂H₂₁NO₂ — CID 163291752

About Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate

Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate (PubChem CID 163291752) has the molecular formula C₁₂H₂₁NO₂ and a molecular weight of 211.30 g/mol. Its IUPAC name is tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate.

Molecular Properties

• Compound Name: Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate
• PubChem CID: 163291752
• Molecular Formula: C₁₂H₂₁NO₂
• Molecular Weight: 211.30 g/mol
• Exact Mass: 211.16
• IUPAC Name: tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate
• SMILES: C[C@H]1CC/C(=N\CC(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C12H21NO2/c1-9-5-6-10(7-9)13-8-11(14)15-12(2,3)4/h9H,5-8H2,1-4H3/b13-10+/t9-/m0/s1
• InChIKey: UGWABSFFQVFZPF-CVZWZAMJSA-N
• XLogP: 2.59
• TPSA: 38.66 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	211.30
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate?

The IUPAC name of Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate (CID 163291752) is tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate.

What is the SMILES notation for Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate?

The canonical SMILES for Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate is C[C@H]1CC/C(=N\CC(=O)OC(C)(C)C)C1.

What is the InChIKey of Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate?

The InChIKey is UGWABSFFQVFZPF-CVZWZAMJSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-5-6-10(7-9)13-8-11(14)15-12(2,3)4/h9H,5-8H2,1-4H3/b13-10+/t9-/m0/s1.

What are the key properties of Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate?

Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate has a molecular weight of 211.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate is sourced from PubChem (CID 163291752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163291752 — identifiers, structure, computed properties (public domain)

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