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

C9H13NO3 — CID 83447291

IUPAC2-amino-5-tert-butylfuran-3-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(N)o1
InChIInChI=1S/C9H13NO3/c1-9(2,3)6-4-5(8(11)12)7(10)13-6/h4H,10H2,1-3H3,(H,11,12)
InChIKeyIYJHQZNXUSWDPC-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.86
Rot. Bonds1

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

2-amino-5-tert-butylfuran-3-carboxylic acid (PubChem CID 83447291) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-5-tert-butylfuran-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-tert-butylfuran-3-carboxylic acid
PubChem CID83447291
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-amino-5-tert-butylfuran-3-carboxylic acid
SMILESCC(C)(C)c1cc(C(=O)O)c(N)o1
InChIInChI=1S/C9H13NO3/c1-9(2,3)6-4-5(8(11)12)7(10)13-6/h4H,10H2,1-3H3,(H,11,12)
InChIKeyIYJHQZNXUSWDPC-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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Related Compounds

3-amino-5-tert-butylfuran-2-carboxylic acid
CID 82407328
5-tert-butyl-2-cyclopropylfuran-3-carboxylic acid
CID 83604036
3-(aminomethyl)-5-tert-butylfuran-2-carboxylic acid
CID 976763
5-tert-butyl-2-(piperidin-1-ylmethyl)furan-3-carboxylic acid chloride
CID 53314161
2,5-ditert-butylfuro[2,3-b]furan
CID 89447163
1-(5-tert-butyl-2-methylfuran-3-yl)-2-methylpropan-1-one
CID 58782087
5-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-2-hydroxybenzoic acid
CID 788752
methyl 5-tert-butyl-2-phenylfuran-3-carboxylate
CID 14321437
5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
CID 2742902
3-amino-6-tert-butylpyridazine-4-carboxylic acid
CID 83637373
2-amino-3-tert-butyl-5-chlorobenzoic acid
CID 142738161
(2S)-1-(5-tert-butyl-2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 672644

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-tert-butylfuran-3-carboxylic acid?
The IUPAC name of 2-amino-5-tert-butylfuran-3-carboxylic acid (CID 83447291) is 2-amino-5-tert-butylfuran-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-tert-butylfuran-3-carboxylic acid?
The canonical SMILES for 2-amino-5-tert-butylfuran-3-carboxylic acid is CC(C)(C)c1cc(C(=O)O)c(N)o1.
What is the InChIKey of 2-amino-5-tert-butylfuran-3-carboxylic acid?
The InChIKey is IYJHQZNXUSWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(2,3)6-4-5(8(11)12)7(10)13-6/h4H,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-5-tert-butylfuran-3-carboxylic acid?
2-amino-5-tert-butylfuran-3-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 2-amino-5-tert-butylfuran-3-carboxylic acid is sourced from PubChem (CID 83447291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).