4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid

C9H12N2O3 — CID 112715486

IUPAC4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid
SMILESCc1noc2c1C(N)(C(=O)O)C(C)C2
InChIInChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)11-14-6)9(4,10)8(12)13/h4H,3,10H2,1-2H3,(H,12,13)
InChIKeyYXYURGNDNUARLJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.41
Rot. Bonds1

About 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid

4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid (PubChem CID 112715486) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid
PubChem CID112715486
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid
SMILESCc1noc2c1C(N)(C(=O)O)C(C)C2
InChIInChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)11-14-6)9(4,10)8(12)13/h4H,3,10H2,1-2H3,(H,12,13)
InChIKeyYXYURGNDNUARLJ-UHFFFAOYSA-N
XLogP0.41
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid?
The IUPAC name of 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid (CID 112715486) is 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid.
What is the SMILES notation for 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid?
The canonical SMILES for 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid is Cc1noc2c1C(N)(C(=O)O)C(C)C2.
What is the InChIKey of 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid?
The InChIKey is YXYURGNDNUARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-3-6-7(5(2)11-14-6)9(4,10)8(12)13/h4H,3,10H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid?
4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dimethyl-5,6-dihydrocyclopenta[d][1,2]oxazole-4-carboxylic acid is sourced from PubChem (CID 112715486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).