2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid

C12H16FNO2 — CID 65063229

IUPAC2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccc(F)c(C)c1
InChIInChI=1S/C12H16FNO2/c1-3-14(8-12(15)16)7-10-4-5-11(13)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQPTVIPYBXGSCBN-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.04
Rot. Bonds5

About 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid

2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid (PubChem CID 65063229) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
PubChem CID65063229
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1ccc(F)c(C)c1
InChIInChI=1S/C12H16FNO2/c1-3-14(8-12(15)16)7-10-4-5-11(13)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyQPTVIPYBXGSCBN-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[(3,4-difluorophenyl)methyl]amino]acetic acid
CID 65065447
2-[(3-fluoro-4-methylphenyl)methyl-propylamino]acetic acid
CID 65064590
2-[(3-bromo-4-fluorophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 55246136
2-[ethyl-[(4-fluoro-2-methylphenyl)methyl]amino]acetic acid
CID 65063539
2-[3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]anilino]acetic acid
CID 65058188
2-[(3-chloro-4-fluorophenyl)methyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425991
3-[[3-[carboxymethyl(methyl)amino]-4-fluorophenyl]methyl-ethylamino]propanoic acid
CID 84753123
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-ethylamino]acetic acid
CID 61012005
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
3-(diethylamino)-2-(4-fluoro-3-methylphenyl)propanoic acid
CID 112508985
2-[(3-bromo-4-methylphenyl)methyl-propylamino]acetic acid
CID 105403617

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid (CID 65063229) is 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1ccc(F)c(C)c1.
What is the InChIKey of 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid?
The InChIKey is QPTVIPYBXGSCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-14(8-12(15)16)7-10-4-5-11(13)9(2)6-10/h4-6H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid?
2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid has a molecular weight of 225.26 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-fluoro-3-methylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 65063229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).