tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate

C13H23NO3 — CID 103822364

IUPACtert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(12(16)17-13(2,3)4)14-11(15)8-10-6-5-7-10/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyUHGJKOMOXKIBPL-VIFPVBQESA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds4

About tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate

tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate (PubChem CID 103822364) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
PubChem CID103822364
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate
SMILESC[C@H](NC(=O)CC1CCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO3/c1-9(12(16)17-13(2,3)4)14-11(15)8-10-6-5-7-10/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1
InChIKeyUHGJKOMOXKIBPL-VIFPVBQESA-N
XLogP2.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[(2-cycloheptylacetyl)amino]propanoate
CID 103822349
tert-butyl (2R)-2-[(2-cyclopentylacetyl)amino]-3-methylbutanoate
CID 81003942
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
tert-butyl (2S)-2-[[(2S)-2-[(2-cyclopentylacetyl)amino]propanoyl]amino]-2-phenylacetate
CID 142643331
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
tert-butyl (2R)-2-(cyclobutylcarbamoylamino)propanoate
CID 104892208
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057
tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
but-3-enyl (2R)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 97003915
tert-butyl (2R)-2-(3,4,4-trimethylpentanoylamino)propanoate
CID 81003612
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclobutylacetamide;hydrochloride
CID 119606072

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate (CID 103822364) is tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate is C[C@H](NC(=O)CC1CCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate?
The InChIKey is UHGJKOMOXKIBPL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(12(16)17-13(2,3)4)14-11(15)8-10-6-5-7-10/h9-10H,5-8H2,1-4H3,(H,14,15)/t9-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate?
tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate has a molecular weight of 241.33 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2-cyclobutylacetyl)amino]propanoate is sourced from PubChem (CID 103822364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).