methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate

C13H15FN2O5 — CID 104889728

IUPACmethyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O5/c1-21-13(20)10(17)6-15-11(18)7-16-12(19)8-4-2-3-5-9(8)14/h2-5,10,17H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyMNHVIDQZSYRDRN-UHFFFAOYSA-N
MW298.27 g/mol
LogP-0.79
Rot. Bonds6

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

methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate (PubChem CID 104889728) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
PubChem CID104889728
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Namemethyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O5/c1-21-13(20)10(17)6-15-11(18)7-16-12(19)8-4-2-3-5-9(8)14/h2-5,10,17H,6-7H2,1H3,(H,15,18)(H,16,19)
InChIKeyMNHVIDQZSYRDRN-UHFFFAOYSA-N
XLogP-0.79
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106108103
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
2-[2-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-2-oxoethyl]benzoic acid
CID 107214934
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
CID 103879318
2-fluoro-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamide
CID 18110116
methyl 3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 103957956

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate (CID 104889728) is methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate?
The InChIKey is MNHVIDQZSYRDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O5/c1-21-13(20)10(17)6-15-11(18)7-16-12(19)8-4-2-3-5-9(8)14/h2-5,10,17H,6-7H2,1H3,(H,15,18)(H,16,19).
What are the key properties of methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate?
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate has a molecular weight of 298.27 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 104889728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).