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

C13H15FN2O5 — CID 9277655

IUPACmethyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O5/c1-21-13(20)10(7-17)16-11(18)6-15-12(19)8-4-2-3-5-9(8)14/h2-5,10,17H,6-7H2,1H3,(H,15,19)(H,16,18)/t10-/m1/s1
InChIKeyXCVPZUZOZJLCEP-SNVBAGLBSA-N
MW298.27 g/mol
LogP-0.79
Rot. Bonds6

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

methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate (PubChem CID 9277655) has the molecular formula C13H15FN2O5 and a molecular weight of 298.27 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
PubChem CID9277655
Molecular FormulaC13H15FN2O5
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Namemethyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C13H15FN2O5/c1-21-13(20)10(7-17)16-11(18)6-15-12(19)8-4-2-3-5-9(8)14/h2-5,10,17H,6-7H2,1H3,(H,15,19)(H,16,18)/t10-/m1/s1
InChIKeyXCVPZUZOZJLCEP-SNVBAGLBSA-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

(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
methyl 3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-2-hydroxypropanoate
CID 104889728
2-fluoro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981439
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751
methyl 3-[(2-fluorobenzoyl)amino]-2-iodopropanoate
CID 103493166
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
2-fluoro-N-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 82723711
methyl 2-[(2-chloro-3-fluorobenzoyl)amino]-3-hydroxypropanoate
CID 81462130
2-fluoro-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 40623473
methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 40856393

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate (CID 9277655) is methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate is COC(=O)[C@@H](CO)NC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate?
The InChIKey is XCVPZUZOZJLCEP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15FN2O5/c1-21-13(20)10(7-17)16-11(18)6-15-12(19)8-4-2-3-5-9(8)14/h2-5,10,17H,6-7H2,1H3,(H,15,19)(H,16,18)/t10-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate?
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-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 (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 9277655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).