tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate

C13H20N2O2 — CID 66935363

IUPACtert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
SMILESCC[C@@H](N)c1cc(C(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C13H20N2O2/c1-5-10(14)11-8-9(6-7-15-11)12(16)17-13(2,3)4/h6-8,10H,5,14H2,1-4H3/t10-/m1/s1
InChIKeyGBIQPLHRHBZIAN-SNVBAGLBSA-N
MW236.31 g/mol
LogP2.45
Rot. Bonds3

About tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate

tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate (PubChem CID 66935363) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
PubChem CID66935363
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nametert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
SMILESCC[C@@H](N)c1cc(C(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C13H20N2O2/c1-5-10(14)11-8-9(6-7-15-11)12(16)17-13(2,3)4/h6-8,10H,5,14H2,1-4H3/t10-/m1/s1
InChIKeyGBIQPLHRHBZIAN-SNVBAGLBSA-N
XLogP2.45
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-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 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
tert-butyl 3-[(1R)-1-aminopropyl]benzoate
CID 66935281
2-[(1S)-1-amino-2-methoxyethyl]pyridine-4-carboxylic acid
CID 55268372
ethyl 2-[amino-(hydroxyamino)methyl]pyridine-4-carboxylate
CID 139997586
2-(1-aminopropyl)pyridine-4-carbaldehyde
CID 123521496
tert-butyl 4-(1-aminopropyl)-2-hydroxybenzoate
CID 66935124
ethyl 2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]pyridine-4-carboxylate
CID 58077318
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 4-(1-aminopropyl)-2-fluorobenzoate;hydrochloride
CID 66935032
tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
CID 139447971
methyl 2-[(1R)-1,2-dihydroxyethyl]pyridine-4-carboxylate
CID 162911096
tert-butyl 2-morpholin-4-ylpyridine-4-carboxylate
CID 2762943

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate (CID 66935363) is tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate is CC[C@@H](N)c1cc(C(=O)OC(C)(C)C)ccn1.
What is the InChIKey of tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate?
The InChIKey is GBIQPLHRHBZIAN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-10(14)11-8-9(6-7-15-11)12(16)17-13(2,3)4/h6-8,10H,5,14H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate?
tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate is sourced from PubChem (CID 66935363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).