tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate

C15H27N5O2 — CID 135742105

IUPACtert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate
SMILESCn1ncc(N)c1N1CCC[C@H](C(N)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)12(17)10-6-5-7-20(9-10)13-11(16)8-18-19(13)4/h8,10,12H,5-7,9,16-17H2,1-4H3/t10-,12?/m0/s1
InChIKeyKTIDKQDSNTWJLT-NUHJPDEHSA-N
MW309.41 g/mol
LogP0.89
Rot. Bonds3

About tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate

tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate (PubChem CID 135742105) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate
PubChem CID135742105
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Nametert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate
SMILESCn1ncc(N)c1N1CCC[C@H](C(N)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)12(17)10-6-5-7-20(9-10)13-11(16)8-18-19(13)4/h8,10,12H,5-7,9,16-17H2,1-4H3/t10-,12?/m0/s1
InChIKeyKTIDKQDSNTWJLT-NUHJPDEHSA-N
XLogP0.89
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate 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 N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
CID 58464892
tert-butyl N-[[1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]carbamate
CID 123258628
[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
CID 67456245
tert-butyl 4-(4-amino-1-methylpyrazol-5-yl)-3-methylpiperazine-1-carboxylate
CID 89456401
tert-butyl N-[1-(5-amino-7-iodo-1-methylindazol-4-yl)piperidin-3-yl]carbamate
CID 139414082
[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 141313420
[1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-yl]-methylcarbamic acid
CID 67437095
1-(4-amino-1-methylpyrazol-5-yl)piperidin-4-amine
CID 67439094
tert-butyl N-[(1R)-1-[(3R)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 99855102
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
CID 86307986
tert-butyl N-[1-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]ethyl]carbamate
CID 71970942
tert-butyl 2-amino-2-[1-[4-[amino-[(2-methylpropan-2-yl)oxycarbonyl]carbamoyl]-5-(cyclopropylamino)-2-fluorophenyl]pyrrolidin-3-yl]acetate
CID 70126933

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate?
The IUPAC name of tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate (CID 135742105) is tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate?
The canonical SMILES for tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate is Cn1ncc(N)c1N1CCC[C@H](C(N)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate?
The InChIKey is KTIDKQDSNTWJLT-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-15(2,3)22-14(21)12(17)10-6-5-7-20(9-10)13-11(16)8-18-19(13)4/h8,10,12H,5-7,9,16-17H2,1-4H3/t10-,12?/m0/s1.
What are the key properties of tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate?
tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate has a molecular weight of 309.41 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate is sourced from PubChem (CID 135742105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).