methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate

C13H17BrN2O2 — CID 113469426

IUPACmethyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-18-13(17)12(16-11-4-2-3-5-11)9-6-10(14)8-15-7-9/h6-8,11-12,16H,2-5H2,1H3
InChIKeyTUJDHIUUKRLROF-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.59
Rot. Bonds4

About methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate

methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate (PubChem CID 113469426) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
PubChem CID113469426
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Namemethyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate
SMILESCOC(=O)C(NC1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-18-13(17)12(16-11-4-2-3-5-11)9-6-10(14)8-15-7-9/h6-8,11-12,16H,2-5H2,1H3
InChIKeyTUJDHIUUKRLROF-UHFFFAOYSA-N
XLogP2.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cycloheptylamino)-2-(3,5-difluorophenyl)acetate
CID 106528954
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclopentylamino)-2-(3,4-dimethylphenyl)acetate
CID 54894017
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(cyclohexylamino)-2-(4-methylsulfanylphenyl)acetate
CID 60997375
methyl 2-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)acetate
CID 81146135
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(cycloheptylamino)acetate
CID 102840978
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclopentylamino)acetate
CID 66157058
methyl 2-(cyclopentylamino)-2-[3-(trifluoromethyl)phenyl]acetate
CID 60998889
methyl 2-(2-bromo-5-chlorophenyl)-2-(cyclohexylamino)acetate
CID 66157260

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate?
The IUPAC name of methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate (CID 113469426) is methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate.
What is the SMILES notation for methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate?
The canonical SMILES for methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate is COC(=O)C(NC1CCCC1)c1cncc(Br)c1.
What is the InChIKey of methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate?
The InChIKey is TUJDHIUUKRLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-18-13(17)12(16-11-4-2-3-5-11)9-6-10(14)8-15-7-9/h6-8,11-12,16H,2-5H2,1H3.
What are the key properties of methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate?
methyl 2-(5-bromo-3-pyridinyl)-2-(cyclopentylamino)acetate has a molecular weight of 313.19 g/mol, XLogP of 2.59, 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-3-pyridinyl)-2-(cyclopentylamino)acetate is sourced from PubChem (CID 113469426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).