1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid

C11H13BrN2O2S — CID 79656489

IUPAC1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(Sc2ccc(Br)cn2)C1
InChIInChI=1S/C11H13BrN2O2S/c12-7-1-2-9(14-6-7)17-8-3-4-11(13,5-8)10(15)16/h1-2,6,8H,3-5,13H2,(H,15,16)
InChIKeyBRNDWNMTAAYISH-UHFFFAOYSA-N
MW317.21 g/mol
LogP2.27
Rot. Bonds3

About 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid

1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid (PubChem CID 79656489) has the molecular formula C11H13BrN2O2S and a molecular weight of 317.21 g/mol. Its IUPAC name is 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid
PubChem CID79656489
Molecular FormulaC11H13BrN2O2S
Molecular Weight317.21 g/mol
Exact Mass315.99
IUPAC Name1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(Sc2ccc(Br)cn2)C1
InChIInChI=1S/C11H13BrN2O2S/c12-7-1-2-9(14-6-7)17-8-3-4-11(13,5-8)10(15)16/h1-2,6,8H,3-5,13H2,(H,15,16)
InChIKeyBRNDWNMTAAYISH-UHFFFAOYSA-N
XLogP2.27
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.21
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-3-(4-methylphenyl)sulfanylcyclopentane-1-carboxylic acid
CID 79654079
1-amino-3-(5-methylpyrimidin-2-yl)sulfanylcyclohexane-1-carboxylic acid
CID 79635477
2-[(5-bromo-2-pyridinyl)sulfanyl]-4,4-dimethylcyclohexan-1-amine
CID 64628826
1-amino-N-(5-bromo-2-pyridinyl)cyclopropane-1-carboxamide
CID 65466775
1-amino-3-(2-bromophenyl)sulfanylcyclopentane-1-carboxamide
CID 79653434
1-amino-2-[2-[(5-bromo-2-pyridinyl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582299
3-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethylcyclohexan-1-amine
CID 64722823
3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 79635166
1-amino-3-[(5-oxo-4-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 79654426
ethyl 3-[(5-chloro-2-pyridinyl)sulfanyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79656323
3-(4-bromophenyl)sulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653433
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclopentane-1-carboxamide
CID 79654187

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid (CID 79656489) is 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid is NC1(C(=O)O)CCC(Sc2ccc(Br)cn2)C1.
What is the InChIKey of 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid?
The InChIKey is BRNDWNMTAAYISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O2S/c12-7-1-2-9(14-6-7)17-8-3-4-11(13,5-8)10(15)16/h1-2,6,8H,3-5,13H2,(H,15,16).
What are the key properties of 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid?
1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid has a molecular weight of 317.21 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(5-bromo-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79656489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).