tert-butyl 4-(propylamino)butanoate

C11H23NO2 — CID 22329227

IUPACtert-butyl 4-(propylamino)butanoate
SMILESCCCNCCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-8-12-9-6-7-10(13)14-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyWSEJGQZSOMHFRI-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds6

About tert-butyl 4-(propylamino)butanoate

tert-butyl 4-(propylamino)butanoate (PubChem CID 22329227) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is tert-butyl 4-(propylamino)butanoate.

Molecular Properties

Compound Nametert-butyl 4-(propylamino)butanoate
PubChem CID22329227
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nametert-butyl 4-(propylamino)butanoate
SMILESCCCNCCCC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO2/c1-5-8-12-9-6-7-10(13)14-11(2,3)4/h12H,5-9H2,1-4H3
InChIKeyWSEJGQZSOMHFRI-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 4-(5-hydroxypentylamino)butanoate
CID 176899460
tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
tert-butyl 14-(2-chloroethylamino)tetradecanoate
CID 178028666
ditert-butyl pentanedioate
CID 3016405
tert-butyl 3-(4-hydroxybutylamino)propanoate
CID 106842831
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
tert-butyl octacosanoate
CID 174872722
tert-butyl pentanoate;hydrazine
CID 174371267
tert-butyl 4-(pent-1-ynylamino)butanoate
CID 88530766
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(propylamino)butanoate?
The IUPAC name of tert-butyl 4-(propylamino)butanoate (CID 22329227) is tert-butyl 4-(propylamino)butanoate.
What is the SMILES notation for tert-butyl 4-(propylamino)butanoate?
The canonical SMILES for tert-butyl 4-(propylamino)butanoate is CCCNCCCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-(propylamino)butanoate?
The InChIKey is WSEJGQZSOMHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-8-12-9-6-7-10(13)14-11(2,3)4/h12H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-(propylamino)butanoate?
tert-butyl 4-(propylamino)butanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(propylamino)butanoate is sourced from PubChem (CID 22329227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).