2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid

C16H20FNO4 — CID 129468888

IUPAC2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid
SMILESC[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C16H20FNO4/c1-11-8-13(6-7-22-11)16(21)18(10-15(19)20)9-12-2-4-14(17)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,19,20)/t11-,13+/m0/s1
InChIKeyQXAVMZYZGVKNEW-WCQYABFASA-N
MW309.34 g/mol
LogP2.05
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid

2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid (PubChem CID 129468888) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid
PubChem CID129468888
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid
SMILESC[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccc(F)cc2)CCO1
InChIInChI=1S/C16H20FNO4/c1-11-8-13(6-7-22-11)16(21)18(10-15(19)20)9-12-2-4-14(17)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,19,20)/t11-,13+/m0/s1
InChIKeyQXAVMZYZGVKNEW-WCQYABFASA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]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)methyl-[(2R,4S)-2-methyloxane-4-carbonyl]amino]acetic acid
CID 129468889
2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
CID 129468876
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
2-[4-[[methyl-(2-methyloxane-4-carbonyl)amino]methyl]phenoxy]acetic acid
CID 120538058
2-[(4-chlorophenyl)methyl-(cyclopropanecarbonyl)amino]acetic acid
CID 119193487
N-ethyl-N-[(4-fluorophenyl)methyl]cyclopentanecarboxamide
CID 91410350
2-[benzyl-(4,4-difluorocyclohexanecarbonyl)amino]acetic acid
CID 120517973
(2S,4S)-N-[(4-fluorophenyl)methyl]-2-methyl-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 120618183
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
cis-(1R,3S)-3-amino-N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 124885891
2-[cyclopent-3-ene-1-carbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetic acid
CID 119197237

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid (CID 129468888) is 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid is C[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccc(F)cc2)CCO1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid?
The InChIKey is QXAVMZYZGVKNEW-WCQYABFASA-N. The full InChI is InChI=1S/C16H20FNO4/c1-11-8-13(6-7-22-11)16(21)18(10-15(19)20)9-12-2-4-14(17)5-3-12/h2-5,11,13H,6-10H2,1H3,(H,19,20)/t11-,13+/m0/s1.
What are the key properties of 2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid?
2-[(4-fluorophenyl)methyl-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid has a molecular weight of 309.34 g/mol, XLogP of 2.05, 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-[(2S,4R)-2-methyloxane-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 129468888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).