2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid

C18H25FN2O3 — CID 91766497

IUPAC2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid
SMILESCN(CC(=O)NC1(CC(=O)O)CCCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O3/c1-21(12-14-5-7-15(19)8-6-14)13-16(22)20-18(11-17(23)24)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyBQZPBLXOKQNKRX-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.55
Rot. Bonds7

About 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid

2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid (PubChem CID 91766497) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid
PubChem CID91766497
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid
SMILESCN(CC(=O)NC1(CC(=O)O)CCCCC1)Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O3/c1-21(12-14-5-7-15(19)8-6-14)13-16(22)20-18(11-17(23)24)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,20,22)(H,23,24)
InChIKeyBQZPBLXOKQNKRX-UHFFFAOYSA-N
XLogP2.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[[2-(4-aminophenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64700742
1-[[(4-fluorophenyl)methyl-methylamino]methyl]cyclopentane-1-carboxylic acid
CID 62270527
N-(3-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2714145
2-[1-[4-(4-fluorophenoxy)butanoylamino]cyclobutyl]acetic acid
CID 119217835
N-(cyclopentylcarbamoyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 9251711
N-(1-cyanocycloheptyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 30667289
2-[1-[(4-ethylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671366
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[(4-bromophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253204

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid (CID 91766497) is 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid is CN(CC(=O)NC1(CC(=O)O)CCCCC1)Cc1ccc(F)cc1.
What is the InChIKey of 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is BQZPBLXOKQNKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-21(12-14-5-7-15(19)8-6-14)13-16(22)20-18(11-17(23)24)9-3-2-4-10-18/h5-8H,2-4,9-13H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 336.41 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(4-fluorophenyl)methyl-methylamino]acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 91766497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).