2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid

C14H18FNO3 — CID 106490902

IUPAC2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid
SMILESNCC(CC1CCOC1)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c15-12-3-1-11(2-4-12)14(9-16,13(17)18)7-10-5-6-19-8-10/h1-4,10H,5-9,16H2,(H,17,18)
InChIKeyRPGGEBZPJPRTJR-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.53
Rot. Bonds5

About 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid

2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid (PubChem CID 106490902) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid
PubChem CID106490902
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid
SMILESNCC(CC1CCOC1)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO3/c15-12-3-1-11(2-4-12)14(9-16,13(17)18)7-10-5-6-19-8-10/h1-4,10H,5-9,16H2,(H,17,18)
InChIKeyRPGGEBZPJPRTJR-UHFFFAOYSA-N
XLogP1.53
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-cyclopentyl-2-(3-fluorophenyl)propanoic acid
CID 106490422
2,2-difluoro-3-(oxolan-3-yl)propanoic acid
CID 105438514
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
CID 106490906
2-(aminomethyl)-2-(4-fluorophenyl)-3-(2-methylphenyl)propanoic acid
CID 106490943
N-(4-fluorophenyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126789596
N-cyclopropyl-4-fluoro-N-[[(3S)-oxolan-3-yl]methyl]benzamide
CID 129365728
2-(aminomethyl)-2-(4-fluorophenyl)-5-methylsulfonylpentanoic acid
CID 106490929
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
2-(4-fluorophenyl)-N-methyl-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 95973496
2-(4-fluorophenyl)-N-methyl-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 95973495
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-(cyclobutylmethyl)-3-ethoxy-2-(4-fluorophenyl)-3-oxopropanoic acid
CID 103974834

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid (CID 106490902) is 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid is NCC(CC1CCOC1)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid?
The InChIKey is RPGGEBZPJPRTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-3-1-11(2-4-12)14(9-16,13(17)18)7-10-5-6-19-8-10/h1-4,10H,5-9,16H2,(H,17,18).
What are the key properties of 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid?
2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid has a molecular weight of 267.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-(4-fluorophenyl)-3-(oxolan-3-yl)propanoic acid is sourced from PubChem (CID 106490902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).