tert-butyl 5-amino-4-oxopentanoate

C9H17NO3 — CID 71412788

IUPACtert-butyl 5-amino-4-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(=O)CN
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)5-4-7(11)6-10/h4-6,10H2,1-3H3
InChIKeyULFONIBWDARXSH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.64
Rot. Bonds4

About tert-butyl 5-amino-4-oxopentanoate

tert-butyl 5-amino-4-oxopentanoate (PubChem CID 71412788) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 5-amino-4-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-4-oxopentanoate
PubChem CID71412788
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 5-amino-4-oxopentanoate
SMILESCC(C)(C)OC(=O)CCC(=O)CN
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)5-4-7(11)6-10/h4-6,10H2,1-3H3
InChIKeyULFONIBWDARXSH-UHFFFAOYSA-N
XLogP0.64
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl Aminolevulinate Hydrochloride
CID 157921
5-Aminolevulinic acid hexyl ester
CID 6433083
5-Azaniumyl-4-oxopentanoate
CID 7048523
Methyl Aminolevulinate
CID 157922
Hexaminolevulinate Hydrochloride
CID 6433082
Pentanoic acid, 5-amino-4-oxo-, butyl ester
CID 10219730
Methyl 5-amino-4-oxovalerate hydrochloride
CID 3036828
Pentyl 5-amino-4-oxopentanoate
CID 10130405
Tert-butyl 5-aminopentanoate hydrochloride
CID 71757718
CID 16722119
CID 16722119
Ethyl 5-amino-4-oxopentanoate
CID 11665453
Ethyl 5-amino-4-oxopentanoate--hydrogen chloride (1/1)
CID 22253145

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-4-oxopentanoate?
The IUPAC name of tert-butyl 5-amino-4-oxopentanoate (CID 71412788) is tert-butyl 5-amino-4-oxopentanoate.
What is the SMILES notation for tert-butyl 5-amino-4-oxopentanoate?
The canonical SMILES for tert-butyl 5-amino-4-oxopentanoate is CC(C)(C)OC(=O)CCC(=O)CN.
What is the InChIKey of tert-butyl 5-amino-4-oxopentanoate?
The InChIKey is ULFONIBWDARXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)5-4-7(11)6-10/h4-6,10H2,1-3H3.
What are the key properties of tert-butyl 5-amino-4-oxopentanoate?
tert-butyl 5-amino-4-oxopentanoate has a molecular weight of 187.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-4-oxopentanoate is sourced from PubChem (CID 71412788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).