tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate

C13H24N2O3 — CID 165486896

IUPACtert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
SMILESCC(N)C(=O)N1CCCC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-9(14)11(16)15-7-5-6-10(8-15)12(17)18-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQCESQTMCBQJFTI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.91
Rot. Bonds2

About tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate

tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate (PubChem CID 165486896) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
PubChem CID165486896
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate
SMILESCC(N)C(=O)N1CCCC(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O3/c1-9(14)11(16)15-7-5-6-10(8-15)12(17)18-13(2,3)4/h9-10H,5-8,14H2,1-4H3
InChIKeyQCESQTMCBQJFTI-UHFFFAOYSA-N
XLogP0.91
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
tert-butyl (3R)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylate
CID 102216136
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
tert-butyl N-[[1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 66566270
(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate?
The IUPAC name of tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate (CID 165486896) is tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate?
The canonical SMILES for tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate is CC(N)C(=O)N1CCCC(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate?
The InChIKey is QCESQTMCBQJFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(14)11(16)15-7-5-6-10(8-15)12(17)18-13(2,3)4/h9-10H,5-8,14H2,1-4H3.
What are the key properties of tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate?
tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(2-aminopropanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 165486896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).