2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid

C11H14FNO2 — CID 65056319

IUPAC2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
SMILESCc1cc(F)ccc1CN(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-8-5-10(12)4-3-9(8)6-13(2)7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyVRYCUMFOQHVDOO-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.65
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid

2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid (PubChem CID 65056319) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
PubChem CID65056319
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid
SMILESCc1cc(F)ccc1CN(C)CC(=O)O
InChIInChI=1S/C11H14FNO2/c1-8-5-10(12)4-3-9(8)6-13(2)7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyVRYCUMFOQHVDOO-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanoic acid
CID 65063168
4-[(4-fluoro-2-methylphenyl)methyl-methylamino]butanoic acid
CID 65067973
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65063539
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-[(4-fluoro-2-methylphenyl)methyl-prop-2-ynylamino]acetic acid
CID 79282964
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 62134144
1-(dimethylamino)-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347298
3-[(4-fluoro-2-methylphenyl)methyl-methylamino]propanimidamide
CID 114346088
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379
2-[(1,1-dioxothiolan-3-yl)-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65059301
2-[carboxymethyl-[(2,4-difluorophenyl)methyl]amino]acetic acid
CID 63645803
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid (CID 65056319) is 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid is Cc1cc(F)ccc1CN(C)CC(=O)O.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid?
The InChIKey is VRYCUMFOQHVDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8-5-10(12)4-3-9(8)6-13(2)7-11(14)15/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid?
2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid has a molecular weight of 211.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 65056319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).