methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate

C12H14FNO4 — CID 113344194

IUPACmethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO4/c1-18-12(17)10(15)7-14-11(16)6-8-2-4-9(13)5-3-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)
InChIKeyTUXQVFWJAVVZQP-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.02
Rot. Bonds5

About methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate

methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate (PubChem CID 113344194) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
PubChem CID113344194
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Namemethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H14FNO4/c1-18-12(17)10(15)7-14-11(16)6-8-2-4-9(13)5-3-8/h2-5,10,15H,6-7H2,1H3,(H,14,16)
InChIKeyTUXQVFWJAVVZQP-UHFFFAOYSA-N
XLogP0.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[(2-pyridin-4-ylacetyl)amino]propanoate
CID 103960996
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
methyl 3-[[2-(3,4-dimethylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103957745
methyl 2-hydroxy-3-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoate
CID 103879287
methyl 4-(4-fluorophenyl)-2-hydroxybutanoate
CID 67031210
methyl 2-hydroxy-3-[[2-(3-methylphenyl)acetyl]amino]propanoate
CID 103879292
N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529
methyl 3-[3-(4-ethylphenyl)propanoylamino]-2-hydroxypropanoate
CID 103879309
2-[(4-fluorophenyl)methyl]-3-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 56819891
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate (CID 113344194) is methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate?
The InChIKey is TUXQVFWJAVVZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-18-12(17)10(15)7-14-11(16)6-8-2-4-9(13)5-3-8/h2-5,10,15H,6-7H2,1H3,(H,14,16).
What are the key properties of methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate has a molecular weight of 255.24 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 113344194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).