2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid

C14H20FNO2 — CID 119139235

IUPAC2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid
SMILESCC(C)C(Cc1ccc(F)cc1)N(C)CC(=O)O
InChIInChI=1S/C14H20FNO2/c1-10(2)13(16(3)9-14(17)18)8-11-4-6-12(15)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyGECFJRKUVSFHTJ-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.41
Rot. Bonds6

About 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid

2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid (PubChem CID 119139235) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid
PubChem CID119139235
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid
SMILESCC(C)C(Cc1ccc(F)cc1)N(C)CC(=O)O
InChIInChI=1S/C14H20FNO2/c1-10(2)13(16(3)9-14(17)18)8-11-4-6-12(15)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,18)
InChIKeyGECFJRKUVSFHTJ-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[4-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-yl-methylamino]acetic acid;hydrochloride
CID 121482377
2-[(4-fluorophenyl)methyl-methylamino]propanoic acid
CID 61413497
3-[methyl-[3-methyl-1-(4-nitrophenyl)butan-2-yl]amino]propanoic acid
CID 84751560
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
2-[1-(4-fluorophenyl)propan-2-yl]butanedioic acid
CID 91127793
4-[(4-fluorophenyl)methyl]-5-methylhexan-2-one
CID 165032071
4-[1-(4-fluorophenyl)propan-2-ylcarbamoyl-methylamino]butanoic acid
CID 62995451
2-[[4-[4-[(4-fluoro-N-propan-2-ylanilino)methyl]phenyl]phenyl]methyl-methylamino]acetic acid
CID 58571289
3-[[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912217
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
2-[ethyl(methyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 43794816

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid (CID 119139235) is 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid is CC(C)C(Cc1ccc(F)cc1)N(C)CC(=O)O.
What is the InChIKey of 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid?
The InChIKey is GECFJRKUVSFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-10(2)13(16(3)9-14(17)18)8-11-4-6-12(15)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid?
2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid has a molecular weight of 253.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)-3-methylbutan-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 119139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).