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

C12H21NO2 — CID 163291752

IUPACtert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate
SMILESC[C@H]1CC/C(=N\CC(=O)OC(C)(C)C)C1
InChIInChI=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
InChIKeyUGWABSFFQVFZPF-CVZWZAMJSA-N
MW211.30 g/mol
LogP2.59
Rot. Bonds2

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 Nametert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate
PubChem CID163291752
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nametert-butyl 2-[[(3S)-3-methylcyclopentylidene]amino]acetate
SMILESC[C@H]1CC/C(=N\CC(=O)OC(C)(C)C)C1
InChIInChI=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
InChIKeyUGWABSFFQVFZPF-CVZWZAMJSA-N
XLogP2.59
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 2-(cyclopentylideneamino)acetate
CID 58215852
tert-Butyl 2-[(pentan-3-ylidene)amino]acetate
CID 59249456
[2-Cyclopentyl-eth-(e)-ylideneamino]-acetic acid tert-butyl ester
CID 59249602
Tert-butyl 2-(3-ethylhexylideneamino)acetate
CID 143958776
Tert-butyl 2-(2-ethylpentylideneamino)acetate
CID 144232047
[1-(2-Cyclopentylethylideneamino)-2-methylpropan-2-yl] acetate
CID 174748530
Tert-butyl 2-(3,3-dimethylhexan-2-ylideneamino)acetate
CID 175587262

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).