methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate

C11H11BrClNO4 — CID 43405671

IUPACmethyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClNO4/c1-18-11(17)9(5-15)14-10(16)7-4-6(12)2-3-8(7)13/h2-4,9,15H,5H2,1H3,(H,14,16)
InChIKeyABOQZNIULINXBQ-UHFFFAOYSA-N
MW336.57 g/mol
LogP1.37
Rot. Bonds4

About methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate

methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate (PubChem CID 43405671) has the molecular formula C11H11BrClNO4 and a molecular weight of 336.57 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
PubChem CID43405671
Molecular FormulaC11H11BrClNO4
Molecular Weight336.57 g/mol
Exact Mass334.96
IUPAC Namemethyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C11H11BrClNO4/c1-18-11(17)9(5-15)14-10(16)7-4-6(12)2-3-8(7)13/h2-4,9,15H,5H2,1H3,(H,14,16)
InChIKeyABOQZNIULINXBQ-UHFFFAOYSA-N
XLogP1.37
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.57
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-hydroxypropanoate
CID 9277942
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]-3-hydroxypropanoate
CID 43405857
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
methyl (2S)-2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 9277750
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
5-bromo-2-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103798744
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate (CID 43405671) is methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate?
The InChIKey is ABOQZNIULINXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO4/c1-18-11(17)9(5-15)14-10(16)7-4-6(12)2-3-8(7)13/h2-4,9,15H,5H2,1H3,(H,14,16).
What are the key properties of methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate?
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate has a molecular weight of 336.57 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 43405671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).