2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid

C12H16FNO3 — CID 98784176

IUPAC2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
SMILESCC(C)Oc1ccc(CNCC(=O)O)cc1F
InChIInChI=1S/C12H16FNO3/c1-8(2)17-11-4-3-9(5-10(11)13)6-14-7-12(15)16/h3-5,8,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyYZRUGKQSPQWKPR-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.79
Rot. Bonds6

About 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid

2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid (PubChem CID 98784176) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
PubChem CID98784176
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid
SMILESCC(C)Oc1ccc(CNCC(=O)O)cc1F
InChIInChI=1S/C12H16FNO3/c1-8(2)17-11-4-3-9(5-10(11)13)6-14-7-12(15)16/h3-5,8,14H,6-7H2,1-2H3,(H,15,16)
InChIKeyYZRUGKQSPQWKPR-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]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

N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3-methylbutanamide
CID 110782111
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-1-(4-methylsulfinylphenyl)methanamine
CID 71858013
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
2-[[4-[ethyl(2-hydroxyethyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750410
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]acetic acid
CID 43247472
2-[[4-[butyl(methyl)amino]-3-propan-2-yloxyphenyl]methylamino]acetic acid
CID 84750589
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 71932817
N-butan-2-yl-2-[4-(ethylaminomethyl)-2-fluorophenoxy]propanamide
CID 107686802
2-[(3,4,5-trifluorophenyl)methylamino]acetic acid
CID 63050677
2-[(4-ethoxy-3-fluorophenyl)methylamino]acetamide
CID 115259899

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid (CID 98784176) is 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid is CC(C)Oc1ccc(CNCC(=O)O)cc1F.
What is the InChIKey of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid?
The InChIKey is YZRUGKQSPQWKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(2)17-11-4-3-9(5-10(11)13)6-14-7-12(15)16/h3-5,8,14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid?
2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid has a molecular weight of 241.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-propan-2-yloxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 98784176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).