tert-butyl 5-amino-2-oxopentanoate

C9H17NO3 — CID 58474883

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

About tert-butyl 5-amino-2-oxopentanoate

tert-butyl 5-amino-2-oxopentanoate (PubChem CID 58474883) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 5-amino-2-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 5-amino-2-oxopentanoate
PubChem CID58474883
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 5-amino-2-oxopentanoate
SMILESCC(C)(C)OC(=O)C(=O)CCCN
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7(11)5-4-6-10/h4-6,10H2,1-3H3
InChIKeyMOIMEVINRLZGNO-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-2-oxopentanoate?
The IUPAC name of tert-butyl 5-amino-2-oxopentanoate (CID 58474883) is tert-butyl 5-amino-2-oxopentanoate.
What is the SMILES notation for tert-butyl 5-amino-2-oxopentanoate?
The canonical SMILES for tert-butyl 5-amino-2-oxopentanoate is CC(C)(C)OC(=O)C(=O)CCCN.
What is the InChIKey of tert-butyl 5-amino-2-oxopentanoate?
The InChIKey is MOIMEVINRLZGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)7(11)5-4-6-10/h4-6,10H2,1-3H3.
What are the key properties of tert-butyl 5-amino-2-oxopentanoate?
tert-butyl 5-amino-2-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-2-oxopentanoate is sourced from PubChem (CID 58474883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).