3-amino-5-tert-butylfuran-2-carboxylic acid

C9H13NO3 — CID 82407328

IUPAC3-amino-5-tert-butylfuran-2-carboxylic acid
SMILESCC(C)(C)c1cc(N)c(C(=O)O)o1
InChIInChI=1S/C9H13NO3/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H,11,12)
InChIKeyUHZQTTJVOKOEGF-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.86
Rot. Bonds1

About 3-amino-5-tert-butylfuran-2-carboxylic acid

3-amino-5-tert-butylfuran-2-carboxylic acid (PubChem CID 82407328) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-amino-5-tert-butylfuran-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-tert-butylfuran-2-carboxylic acid
PubChem CID82407328
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-amino-5-tert-butylfuran-2-carboxylic acid
SMILESCC(C)(C)c1cc(N)c(C(=O)O)o1
InChIInChI=1S/C9H13NO3/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H,11,12)
InChIKeyUHZQTTJVOKOEGF-UHFFFAOYSA-N
XLogP1.86
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-tert-butylfuran-2-carboxylic acid?
The IUPAC name of 3-amino-5-tert-butylfuran-2-carboxylic acid (CID 82407328) is 3-amino-5-tert-butylfuran-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-tert-butylfuran-2-carboxylic acid?
The canonical SMILES for 3-amino-5-tert-butylfuran-2-carboxylic acid is CC(C)(C)c1cc(N)c(C(=O)O)o1.
What is the InChIKey of 3-amino-5-tert-butylfuran-2-carboxylic acid?
The InChIKey is UHZQTTJVOKOEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(2,3)6-4-5(10)7(13-6)8(11)12/h4H,10H2,1-3H3,(H,11,12).
What are the key properties of 3-amino-5-tert-butylfuran-2-carboxylic acid?
3-amino-5-tert-butylfuran-2-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-tert-butylfuran-2-carboxylic acid is sourced from PubChem (CID 82407328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).