2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid

C15H18FNO4 — CID 129468876

IUPAC2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCOC1
InChIInChI=1S/C15H18FNO4/c16-13-5-3-11(4-6-13)8-17(9-14(18)19)15(20)12-2-1-7-21-10-12/h3-6,12H,1-2,7-10H2,(H,18,19)/t12-/m1/s1
InChIKeyQUQGBNYSUBNSAC-GFCCVEGCSA-N
MW295.31 g/mol
LogP1.67
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid

2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid (PubChem CID 129468876) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
PubChem CID129468876
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
SMILESO=C(O)CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCOC1
InChIInChI=1S/C15H18FNO4/c16-13-5-3-11(4-6-13)8-17(9-14(18)19)15(20)12-2-1-7-21-10-12/h3-6,12H,1-2,7-10H2,(H,18,19)/t12-/m1/s1
InChIKeyQUQGBNYSUBNSAC-GFCCVEGCSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-[(2R,4S)-2-methyloxane-4-carbonyl]amino]acetic acid
CID 129468889
2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid
CID 129468888
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
2-[cyclopropyl(oxane-3-carbonyl)amino]acetic acid
CID 62758627
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
N-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
N-(3-aminopropyl)-N-(4-fluorophenyl)oxane-3-carboxamide
CID 63011144
2-[benzyl-(4,4-difluorocyclohexanecarbonyl)amino]acetic acid
CID 120517973
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
CID 63010976

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid (CID 129468876) is 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid is O=C(O)CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCOC1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid?
The InChIKey is QUQGBNYSUBNSAC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-13-5-3-11(4-6-13)8-17(9-14(18)19)15(20)12-2-1-7-21-10-12/h3-6,12H,1-2,7-10H2,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid?
2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 129468876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).