4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid

C15H21NO3 — CID 82046108

IUPAC4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid
SMILESCC(C)c1ccc2c(c1)C(N)(C(=O)O)CC(C)(C)O2
InChIInChI=1S/C15H21NO3/c1-9(2)10-5-6-12-11(7-10)15(16,13(17)18)8-14(3,4)19-12/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyZMBSHDJGLHWSSP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.61
Rot. Bonds2

About 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid

4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid (PubChem CID 82046108) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid
PubChem CID82046108
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid
SMILESCC(C)c1ccc2c(c1)C(N)(C(=O)O)CC(C)(C)O2
InChIInChI=1S/C15H21NO3/c1-9(2)10-5-6-12-11(7-10)15(16,13(17)18)8-14(3,4)19-12/h5-7,9H,8,16H2,1-4H3,(H,17,18)
InChIKeyZMBSHDJGLHWSSP-UHFFFAOYSA-N
XLogP2.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid?
The IUPAC name of 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid (CID 82046108) is 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid.
What is the SMILES notation for 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid?
The canonical SMILES for 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid is CC(C)c1ccc2c(c1)C(N)(C(=O)O)CC(C)(C)O2.
What is the InChIKey of 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid?
The InChIKey is ZMBSHDJGLHWSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(2)10-5-6-12-11(7-10)15(16,13(17)18)8-14(3,4)19-12/h5-7,9H,8,16H2,1-4H3,(H,17,18).
What are the key properties of 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid?
4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,2-dimethyl-6-propan-2-yl-3H-chromene-4-carboxylic acid is sourced from PubChem (CID 82046108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).