tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate

C15H25NO3 — CID 125454640

IUPACtert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate
SMILESC[C@@H]1[C@H](C=O)[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO3/c1-10-12(9-17)13(10)11-6-5-7-16(8-11)14(18)19-15(2,3)4/h9-13H,5-8H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKeyWXADLARSPKPTBW-FVCCEPFGSA-N
MW267.37 g/mol
LogP2.71
Rot. Bonds2

About tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate

tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate (PubChem CID 125454640) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate
PubChem CID125454640
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate
SMILESC[C@@H]1[C@H](C=O)[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H25NO3/c1-10-12(9-17)13(10)11-6-5-7-16(8-11)14(18)19-15(2,3)4/h9-13H,5-8H2,1-4H3/t10-,11-,12+,13-/m1/s1
InChIKeyWXADLARSPKPTBW-FVCCEPFGSA-N
XLogP2.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-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 3-[(1S,2R,3S)-2-formyl-3-methylcyclopropyl]azetidine-1-carboxylate
CID 125453833
tert-butyl 3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]azetidine-1-carboxylate
CID 125453831
tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-propan-2-ylcyclopropyl]piperidine-1-carboxylate
CID 125454938
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl 1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 73171544
tert-butyl (3S,4S)-4-hydroxy-3-methylazepane-1-carboxylate
CID 124523424
tert-butyl 3-(2,2-dibromoethenyl)piperidine-1-carboxylate
CID 86615128
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 3-(3-aminocyclohexyl)piperidine-1-carboxylate
CID 91798867
tert-butyl 3-methylpyrrolidine-1-carboxylate;formic acid
CID 143706686

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate (CID 125454640) is tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate is C[C@@H]1[C@H](C=O)[C@H]1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate?
The InChIKey is WXADLARSPKPTBW-FVCCEPFGSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10-12(9-17)13(10)11-6-5-7-16(8-11)14(18)19-15(2,3)4/h9-13H,5-8H2,1-4H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate?
tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-[(1R,2S,3S)-2-formyl-3-methylcyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 125454640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).