tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate

C15H25NO2 — CID 114095991

IUPACtert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
SMILESCC(NC1C2C3CCC(C3)C12)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-8(14(17)18-15(2,3)4)16-13-11-9-5-6-10(7-9)12(11)13/h8-13,16H,5-7H2,1-4H3
InChIKeyONMJAJORHPTPLM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate

tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate (PubChem CID 114095991) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
PubChem CID114095991
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Nametert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
SMILESCC(NC1C2C3CCC(C3)C12)C(=O)OC(C)(C)C
InChIInChI=1S/C15H25NO2/c1-8(14(17)18-15(2,3)4)16-13-11-9-5-6-10(7-9)12(11)13/h8-13,16H,5-7H2,1-4H3
InChIKeyONMJAJORHPTPLM-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
CID 103903777
tert-butyl (2S)-2-(thian-4-ylamino)propanoate
CID 103904043
tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate
CID 103711215
ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
CID 129175515
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
CID 104892208
tert-butyl N-[1-(3-azabicyclo[3.2.0]heptan-3-yl)-1-oxopropan-2-yl]carbamate
CID 175191269
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate?
The IUPAC name of tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate (CID 114095991) is tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate?
The canonical SMILES for tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate is CC(NC1C2C3CCC(C3)C12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate?
The InChIKey is ONMJAJORHPTPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-8(14(17)18-15(2,3)4)16-13-11-9-5-6-10(7-9)12(11)13/h8-13,16H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate?
tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate has a molecular weight of 251.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate is sourced from PubChem (CID 114095991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).