2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid

C18H24FNO4 — CID 166245308

IUPAC2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
SMILESCCC(C(=O)NCC1(CC(=O)O)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H24FNO4/c1-2-15(13-3-5-14(19)6-4-13)17(23)20-12-18(11-16(21)22)7-9-24-10-8-18/h3-6,15H,2,7-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyAUVXZKAUKCQAQP-UHFFFAOYSA-N
MW337.39 g/mol
LogP2.71
Rot. Bonds7

About 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid

2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid (PubChem CID 166245308) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
PubChem CID166245308
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid
SMILESCCC(C(=O)NCC1(CC(=O)O)CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C18H24FNO4/c1-2-15(13-3-5-14(19)6-4-13)17(23)20-12-18(11-16(21)22)7-9-24-10-8-18/h3-6,15H,2,7-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyAUVXZKAUKCQAQP-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]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

2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-3-thiophen-2-ylpropanamide
CID 110310259
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
3-(4-fluorophenyl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-methylpropanamide
CID 110310309
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164548
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid (CID 166245308) is 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid is CCC(C(=O)NCC1(CC(=O)O)CCOCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid?
The InChIKey is AUVXZKAUKCQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-2-15(13-3-5-14(19)6-4-13)17(23)20-12-18(11-16(21)22)7-9-24-10-8-18/h3-6,15H,2,7-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid?
2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid has a molecular weight of 337.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-fluorophenyl)butanoylamino]methyl]oxan-4-yl]acetic acid is sourced from PubChem (CID 166245308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).