tert-butyl (2S)-2-(cyclobutylamino)propanoate

C11H21NO2 — CID 57051933

IUPACtert-butyl (2S)-2-(cyclobutylamino)propanoate
SMILESC[C@H](NC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(12-9-6-5-7-9)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyICWRYAVWCBTIRH-QMMMGPOBSA-N
MW199.29 g/mol
LogP1.86
Rot. Bonds3

About tert-butyl (2S)-2-(cyclobutylamino)propanoate

tert-butyl (2S)-2-(cyclobutylamino)propanoate (PubChem CID 57051933) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl (2S)-2-(cyclobutylamino)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(cyclobutylamino)propanoate
PubChem CID57051933
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl (2S)-2-(cyclobutylamino)propanoate
SMILESC[C@H](NC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-8(12-9-6-5-7-9)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyICWRYAVWCBTIRH-QMMMGPOBSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
tert-butyl (2S)-2-(thian-4-ylamino)propanoate
CID 103904043
tert-butyl (2R)-2-[(3-methylcyclopentyl)amino]propanoate
CID 103903777
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
CID 104892208
tert-butyl 2-[(3-methylsulfanylcyclopentyl)amino]propanoate
CID 103711215
tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
CID 114095991
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
CID 103822364
tert-butyl 2-cyclopentylpropanoate
CID 142496420
2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]propanoic acid
CID 103981851
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
tert-butyl (3R)-3-(cyclohexylamino)butanoate
CID 157049067
tert-butyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]azepane-1-carboxylate
CID 103981825

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(cyclobutylamino)propanoate?
The IUPAC name of tert-butyl (2S)-2-(cyclobutylamino)propanoate (CID 57051933) is tert-butyl (2S)-2-(cyclobutylamino)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-(cyclobutylamino)propanoate?
The canonical SMILES for tert-butyl (2S)-2-(cyclobutylamino)propanoate is C[C@H](NC1CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(cyclobutylamino)propanoate?
The InChIKey is ICWRYAVWCBTIRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(12-9-6-5-7-9)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(cyclobutylamino)propanoate?
tert-butyl (2S)-2-(cyclobutylamino)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(cyclobutylamino)propanoate is sourced from PubChem (CID 57051933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).