methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate

C11H12BrNO4 — CID 103879318

IUPACmethyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrNO4/c1-17-11(16)9(14)6-13-10(15)7-4-2-3-5-8(7)12/h2-5,9,14H,6H2,1H3,(H,13,15)
InChIKeyZMTCIBIKJJGPEK-UHFFFAOYSA-N
MW302.12 g/mol
LogP0.71
Rot. Bonds4

About methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate

methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate (PubChem CID 103879318) has the molecular formula C11H12BrNO4 and a molecular weight of 302.12 g/mol. Its IUPAC name is methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
PubChem CID103879318
Molecular FormulaC11H12BrNO4
Molecular Weight302.12 g/mol
Exact Mass300.99
IUPAC Namemethyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrNO4/c1-17-11(16)9(14)6-13-10(15)7-4-2-3-5-8(7)12/h2-5,9,14H,6H2,1H3,(H,13,15)
InChIKeyZMTCIBIKJJGPEK-UHFFFAOYSA-N
XLogP0.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[(2-hydroxybenzoyl)amino]propanoate
CID 113344182
methyl 3-[(2,5-dibromobenzoyl)amino]-2-hydroxypropanoate
CID 104920530
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 3-[[2-[acetyl(methyl)amino]benzoyl]amino]-2-hydroxypropanoate
CID 103958098
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
4-[(2-bromobenzoyl)amino]-3-methoxybutanoic acid
CID 103153060
methyl 3-[[(E)-3-(2-bromophenyl)prop-2-enoyl]amino]-2-hydroxypropanoate
CID 103879637
2-bromo-N-[2-(dimethylamino)propyl]benzamide
CID 60748459
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
2-bromo-N-(2-bromo-3-ethylpentyl)benzamide
CID 114168800
2-bromo-N-(2-hydroxy-3-phenylpropyl)benzamide
CID 56765281

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate (CID 103879318) is methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccccc1Br.
What is the InChIKey of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate?
The InChIKey is ZMTCIBIKJJGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4/c1-17-11(16)9(14)6-13-10(15)7-4-2-3-5-8(7)12/h2-5,9,14H,6H2,1H3,(H,13,15).
What are the key properties of methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate?
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate has a molecular weight of 302.12 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-bromobenzoyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 103879318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).