methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate

C15H18BrNO4 — CID 103769480

IUPACmethyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(Br)ccc1O)C1CCCC1
InChIInChI=1S/C15H18BrNO4/c1-21-14(19)9-17(11-4-2-3-5-11)15(20)12-8-10(16)6-7-13(12)18/h6-8,11,18H,2-5,9H2,1H3
InChIKeyFBTFJLZHKNLPOU-UHFFFAOYSA-N
MW356.22 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate

methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate (PubChem CID 103769480) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
PubChem CID103769480
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Namemethyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(Br)ccc1O)C1CCCC1
InChIInChI=1S/C15H18BrNO4/c1-21-14(19)9-17(11-4-2-3-5-11)15(20)12-8-10(16)6-7-13(12)18/h6-8,11,18H,2-5,9H2,1H3
InChIKeyFBTFJLZHKNLPOU-UHFFFAOYSA-N
XLogP2.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl-(2,5-dibromothiophene-3-carbonyl)amino]acetate
CID 103769492
methyl 2-[cyclopentyl-(2-fluoro-4-hydroxybenzoyl)amino]acetate
CID 107677270
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 112817353
methyl 2-[(4-chloro-2-methylbenzoyl)-cyclopentylamino]acetate
CID 103782927
5-bromo-N-(cyclohexylmethyl)-2-hydroxy-N-methylbenzamide
CID 36553193
methyl 2-[(4-bromo-3-chlorobenzoyl)-cyclopentylamino]acetate
CID 80998116
5-bromo-N-cyclopentyl-N-ethyl-2-methylbenzamide
CID 65306938
ethyl 2-[(4-bromo-2-methoxybenzoyl)-cyclopropylamino]acetate
CID 78987795
methyl 2-[cyclopentyl(pyridine-4-carbonyl)amino]acetate
CID 80709522
methyl 2-[(2-chloro-3-fluorobenzoyl)-cyclopentylamino]acetate
CID 80718193
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate?
The IUPAC name of methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate (CID 103769480) is methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate.
What is the SMILES notation for methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate?
The canonical SMILES for methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate is COC(=O)CN(C(=O)c1cc(Br)ccc1O)C1CCCC1.
What is the InChIKey of methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate?
The InChIKey is FBTFJLZHKNLPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-21-14(19)9-17(11-4-2-3-5-11)15(20)12-8-10(16)6-7-13(12)18/h6-8,11,18H,2-5,9H2,1H3.
What are the key properties of methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate?
methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate has a molecular weight of 356.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-hydroxybenzoyl)-cyclopentylamino]acetate is sourced from PubChem (CID 103769480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).