4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid

C13H15NO5 — CID 11777615

IUPAC4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid
SMILESCC1(C)CC(N)(C(=O)O)c2ccc(C(=O)O)cc2O1
InChIInChI=1S/C13H15NO5/c1-12(2)6-13(14,11(17)18)8-4-3-7(10(15)16)5-9(8)19-12/h3-5H,6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAADMYFPTDLOICR-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.18
Rot. Bonds2

About 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid

4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid (PubChem CID 11777615) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid
PubChem CID11777615
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid
SMILESCC1(C)CC(N)(C(=O)O)c2ccc(C(=O)O)cc2O1
InChIInChI=1S/C13H15NO5/c1-12(2)6-13(14,11(17)18)8-4-3-7(10(15)16)5-9(8)19-12/h3-5H,6,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyAADMYFPTDLOICR-UHFFFAOYSA-N
XLogP1.18
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid?
The IUPAC name of 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid (CID 11777615) is 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid.
What is the SMILES notation for 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid?
The canonical SMILES for 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid is CC1(C)CC(N)(C(=O)O)c2ccc(C(=O)O)cc2O1.
What is the InChIKey of 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid?
The InChIKey is AADMYFPTDLOICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-12(2)6-13(14,11(17)18)8-4-3-7(10(15)16)5-9(8)19-12/h3-5H,6,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid?
4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-3H-chromene-4,7-dicarboxylic acid is sourced from PubChem (CID 11777615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).