tert-butyl 2-amino-3-piperidin-3-ylpropanoate

C12H24N2O2 — CID 57429451

IUPACtert-butyl 2-amino-3-piperidin-3-ylpropanoate
SMILESCC(C)(C)OC(=O)C(N)CC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10(13)7-9-5-4-6-14-8-9/h9-10,14H,4-8,13H2,1-3H3
InChIKeyHXRMBJYKFKADGB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds3

About tert-butyl 2-amino-3-piperidin-3-ylpropanoate

tert-butyl 2-amino-3-piperidin-3-ylpropanoate (PubChem CID 57429451) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl 2-amino-3-piperidin-3-ylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-piperidin-3-ylpropanoate
PubChem CID57429451
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl 2-amino-3-piperidin-3-ylpropanoate
SMILESCC(C)(C)OC(=O)C(N)CC1CCCNC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10(13)7-9-5-4-6-14-8-9/h9-10,14H,4-8,13H2,1-3H3
InChIKeyHXRMBJYKFKADGB-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-amino-3-cyclohexylpropanoate
CID 20814860
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl (2S)-2-amino-3-(4,4-dimethylcyclohexyl)propanoate
CID 126559741
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
2,2-dimethyl-3-piperidin-3-ylpropanamide
CID 119057117
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
tert-butyl N-[4-(piperidin-3-ylmethylamino)cyclohexyl]carbamate
CID 107241698
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
tert-butyl N-[2-(piperidin-3-ylmethylamino)cyclopropyl]carbamate
CID 107237689
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-piperidin-3-ylpropanoate?
The IUPAC name of tert-butyl 2-amino-3-piperidin-3-ylpropanoate (CID 57429451) is tert-butyl 2-amino-3-piperidin-3-ylpropanoate.
What is the SMILES notation for tert-butyl 2-amino-3-piperidin-3-ylpropanoate?
The canonical SMILES for tert-butyl 2-amino-3-piperidin-3-ylpropanoate is CC(C)(C)OC(=O)C(N)CC1CCCNC1.
What is the InChIKey of tert-butyl 2-amino-3-piperidin-3-ylpropanoate?
The InChIKey is HXRMBJYKFKADGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)10(13)7-9-5-4-6-14-8-9/h9-10,14H,4-8,13H2,1-3H3.
What are the key properties of tert-butyl 2-amino-3-piperidin-3-ylpropanoate?
tert-butyl 2-amino-3-piperidin-3-ylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-piperidin-3-ylpropanoate is sourced from PubChem (CID 57429451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).