(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid

C12H15NO3 — CID 51887898

IUPAC(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
SMILESCN(C)[C@]1(C(=O)O)CCOc2ccccc21
InChIInChI=1S/C12H15NO3/c1-13(2)12(11(14)15)7-8-16-10-6-4-3-5-9(10)12/h3-6H,7-8H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyRXFJHEHCPOOGLF-GFCCVEGCSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds2

About (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid

(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid (PubChem CID 51887898) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
PubChem CID51887898
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
SMILESCN(C)[C@]1(C(=O)O)CCOc2ccccc21
InChIInChI=1S/C12H15NO3/c1-13(2)12(11(14)15)7-8-16-10-6-4-3-5-9(10)12/h3-6H,7-8H2,1-2H3,(H,14,15)/t12-/m1/s1
InChIKeyRXFJHEHCPOOGLF-GFCCVEGCSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-2,3-dihydrochromene-4-carboxylic acid
CID 79428676
1-(dimethylamino)-2,3-dihydroindene-1-carboxylic acid;hydrochloride
CID 50988473
4-(3,5-dimethylcyclohexyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423250
4-(3-methylbutyl)-2,3-dihydrochromene-4-carboxylic acid
CID 65408891
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
4-(2-hydroxybutyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79429529
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
4-(oxan-4-yl)-2,3-dihydrochromene-4-carboxylic acid
CID 79429724
4-but-2-enoxy-2,3-dihydrochromene-4-carboxylic acid
CID 114996160
4-(2-hydroxy-3-methoxypropyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79428487
4-[(4-iodophenyl)methyl]-2,3-dihydrochromene-4-carboxylic acid
CID 65491381
4-(2-hydroxycycloheptyl)-2,3-dihydrochromene-4-carboxylic acid
CID 79423249

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid?
The IUPAC name of (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid (CID 51887898) is (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid.
What is the SMILES notation for (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid?
The canonical SMILES for (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid is CN(C)[C@]1(C(=O)O)CCOc2ccccc21.
What is the InChIKey of (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid?
The InChIKey is RXFJHEHCPOOGLF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13(2)12(11(14)15)7-8-16-10-6-4-3-5-9(10)12/h3-6H,7-8H2,1-2H3,(H,14,15)/t12-/m1/s1.
What are the key properties of (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid?
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid is sourced from PubChem (CID 51887898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).