tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate

C11H19NO2 — CID 155229416

IUPACtert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CC[C@@]2(CN2)C1
InChIInChI=1S/C11H19NO2/c1-10(2,3)14-9(13)8-4-5-11(6-8)7-12-11/h8,12H,4-7H2,1-3H3/t8?,11-/m0/s1
InChIKeyKALTVOINHIQUKN-LYNSQETBSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds1

About tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate

tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 155229416) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
PubChem CID155229416
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nametert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)C1CC[C@@]2(CN2)C1
InChIInChI=1S/C11H19NO2/c1-10(2,3)14-9(13)8-4-5-11(6-8)7-12-11/h8,12H,4-7H2,1-3H3/t8?,11-/m0/s1
InChIKeyKALTVOINHIQUKN-LYNSQETBSA-N
XLogP1.47
TPSA48.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl spiro[2.4]heptane-6-carboxylate
CID 141217808
tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate
CID 71307754
tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
CID 91033663
1-azaspiro[2.4]heptane-5-carboxylic acid
CID 87945137
trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 69457377
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate
CID 170924654
tert-butyl thiane-4-carboxylate
CID 118666343
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
CID 146665710
tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate (CID 155229416) is tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate is CC(C)(C)OC(=O)C1CC[C@@]2(CN2)C1.
What is the InChIKey of tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is KALTVOINHIQUKN-LYNSQETBSA-N. The full InChI is InChI=1S/C11H19NO2/c1-10(2,3)14-9(13)8-4-5-11(6-8)7-12-11/h8,12H,4-7H2,1-3H3/t8?,11-/m0/s1.
What are the key properties of tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 155229416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).