2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C14H16F3NO3 — CID 104524844

IUPAC2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1COc2ccccc2C1N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9-7-21-11-5-3-2-4-10(11)13(9)18(6-12(19)20)8-14(15,16)17/h2-5,9,13H,6-8H2,1H3,(H,19,20)
InChIKeyMVHSLZURJWJULR-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.71
Rot. Bonds4

About 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 104524844) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID104524844
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1COc2ccccc2C1N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9-7-21-11-5-3-2-4-10(11)13(9)18(6-12(19)20)8-14(15,16)17/h2-5,9,13H,6-8H2,1H3,(H,19,20)
InChIKeyMVHSLZURJWJULR-UHFFFAOYSA-N
XLogP2.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]acetic acid
CID 104524795
2-[2,3-dihydro-1-benzofuran-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265048
N',2,2-trimethyl-N'-(3-methyl-3,4-dihydro-2H-chromen-4-yl)propane-1,3-diamine
CID 104524608
4-[methyl-(3-methyl-3,4-dihydro-2H-chromen-4-yl)amino]oxolane-3-carboxylic acid
CID 104524841
3,4-dimethyl-3,4-dihydro-2H-chromene;methanol
CID 90924294
N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624364
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)azetidin-3-amine
CID 113422694
2-[(3,4-dimethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258041
2-[[(3S)-2,3-dihydro-1-benzofuran-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 124677193
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
CID 65064001

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 104524844) is 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1COc2ccccc2C1N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MVHSLZURJWJULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9-7-21-11-5-3-2-4-10(11)13(9)18(6-12(19)20)8-14(15,16)17/h2-5,9,13H,6-8H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 303.28 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-3,4-dihydro-2H-chromen-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 104524844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).