5-(tert-butylamino)-5-oxopentanoic acid

C9H17NO3 — CID 4643864

IUPAC5-(tert-butylamino)-5-oxopentanoic acid
SMILESCC(C)(C)NC(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-7(11)5-4-6-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyUWQLBZCBTKHNNL-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.16
Rot. Bonds4

About 5-(tert-butylamino)-5-oxopentanoic acid

5-(tert-butylamino)-5-oxopentanoic acid (PubChem CID 4643864) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(tert-butylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(tert-butylamino)-5-oxopentanoic acid
PubChem CID4643864
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-(tert-butylamino)-5-oxopentanoic acid
SMILESCC(C)(C)NC(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-9(2,3)10-7(11)5-4-6-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyUWQLBZCBTKHNNL-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(tert-butylamino)-5-oxopentanoic acid (CID 4643864) is 5-(tert-butylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(tert-butylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(tert-butylamino)-5-oxopentanoic acid is CC(C)(C)NC(=O)CCCC(=O)O.
What is the InChIKey of 5-(tert-butylamino)-5-oxopentanoic acid?
The InChIKey is UWQLBZCBTKHNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)10-7(11)5-4-6-8(12)13/h4-6H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 5-(tert-butylamino)-5-oxopentanoic acid?
5-(tert-butylamino)-5-oxopentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-5-oxopentanoic acid is sourced from PubChem (CID 4643864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).