tert-butyl 3-(4-hydroxybutylamino)propanoate

C11H23NO3 — CID 106842831

IUPACtert-butyl 3-(4-hydroxybutylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNCCCCO
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(14)6-8-12-7-4-5-9-13/h12-13H,4-9H2,1-3H3
InChIKeyMKLFJBFRWRVMSY-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds7

About tert-butyl 3-(4-hydroxybutylamino)propanoate

tert-butyl 3-(4-hydroxybutylamino)propanoate (PubChem CID 106842831) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl 3-(4-hydroxybutylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-hydroxybutylamino)propanoate
PubChem CID106842831
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl 3-(4-hydroxybutylamino)propanoate
SMILESCC(C)(C)OC(=O)CCNCCCCO
InChIInChI=1S/C11H23NO3/c1-11(2,3)15-10(14)6-8-12-7-4-5-9-13/h12-13H,4-9H2,1-3H3
InChIKeyMKLFJBFRWRVMSY-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-[2-(6-hydroxyhexylamino)ethylamino]ethylamino]propanoate
CID 87946722
tert-butyl 3-(3-hydroxypropylamino)propanoate
CID 18940757
tert-butyl 4-(5-hydroxypentylamino)butanoate
CID 176899460
tert-butyl 3-[(5-amino-5-oxopentyl)amino]propanoate
CID 106238269
tert-butyl 3-(4-methylsulfanylbutylamino)propanoate
CID 103264069
tert-butyl 3-(7-methyloctylamino)propanoate
CID 114004290
tert-butyl 16-hydroxyhexadecanoate
CID 118542708
tert-butyl 3-(propylamino)propanoate;ethane
CID 143325364
tert-butyl 4-(propylamino)butanoate
CID 22329227
tert-butyl 14-(2-chloroethylamino)tetradecanoate
CID 178028666
tert-butyl 3-(3-triethoxysilylpropylamino)propanoate
CID 22345864
tert-butyl 3-(2,2-dimethylbutylamino)propanoate
CID 103700008

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-hydroxybutylamino)propanoate?
The IUPAC name of tert-butyl 3-(4-hydroxybutylamino)propanoate (CID 106842831) is tert-butyl 3-(4-hydroxybutylamino)propanoate.
What is the SMILES notation for tert-butyl 3-(4-hydroxybutylamino)propanoate?
The canonical SMILES for tert-butyl 3-(4-hydroxybutylamino)propanoate is CC(C)(C)OC(=O)CCNCCCCO.
What is the InChIKey of tert-butyl 3-(4-hydroxybutylamino)propanoate?
The InChIKey is MKLFJBFRWRVMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-11(2,3)15-10(14)6-8-12-7-4-5-9-13/h12-13H,4-9H2,1-3H3.
What are the key properties of tert-butyl 3-(4-hydroxybutylamino)propanoate?
tert-butyl 3-(4-hydroxybutylamino)propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-hydroxybutylamino)propanoate is sourced from PubChem (CID 106842831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).