3-amino-2-bromocyclopentane-1-carboxylic acid

C6H10BrNO2 — CID 54079394

IUPAC3-amino-2-bromocyclopentane-1-carboxylic acid
SMILESNC1CCC(C(=O)O)C1Br
InChIInChI=1S/C6H10BrNO2/c7-5-3(6(9)10)1-2-4(5)8/h3-5H,1-2,8H2,(H,9,10)
InChIKeyMLZOAYXFSWYHBI-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.57
Rot. Bonds1

About 3-amino-2-bromocyclopentane-1-carboxylic acid

3-amino-2-bromocyclopentane-1-carboxylic acid (PubChem CID 54079394) has the molecular formula C6H10BrNO2 and a molecular weight of 208.05 g/mol. Its IUPAC name is 3-amino-2-bromocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-bromocyclopentane-1-carboxylic acid
PubChem CID54079394
Molecular FormulaC6H10BrNO2
Molecular Weight208.05 g/mol
Exact Mass206.99
IUPAC Name3-amino-2-bromocyclopentane-1-carboxylic acid
SMILESNC1CCC(C(=O)O)C1Br
InChIInChI=1S/C6H10BrNO2/c7-5-3(6(9)10)1-2-4(5)8/h3-5H,1-2,8H2,(H,9,10)
InChIKeyMLZOAYXFSWYHBI-UHFFFAOYSA-N
XLogP0.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1R,2S,4S,5S)-4,5-dibromocyclohexane-1,2-dicarboxylic acid
CID 7500869
trans-(1S,3S)-3-aminocyclopentane-1-carboxylic acid
CID 656716
4-aminocyclohexane-1,2-dicarboxylic acid
CID 22559921
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
trans-(1S,2S)-2-aminocyclobutane-1-carboxamide
CID 97301417
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
(1R,2R,3S)-2-amino-3-methylcyclopentane-1-carboxylic acid
CID 95757427
(1S,3R,4R)-3,4-dibromocyclohexane-1-carboxylic acid
CID 7451908
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromocyclopentane-1-carboxylic acid?
The IUPAC name of 3-amino-2-bromocyclopentane-1-carboxylic acid (CID 54079394) is 3-amino-2-bromocyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-bromocyclopentane-1-carboxylic acid?
The canonical SMILES for 3-amino-2-bromocyclopentane-1-carboxylic acid is NC1CCC(C(=O)O)C1Br.
What is the InChIKey of 3-amino-2-bromocyclopentane-1-carboxylic acid?
The InChIKey is MLZOAYXFSWYHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO2/c7-5-3(6(9)10)1-2-4(5)8/h3-5H,1-2,8H2,(H,9,10).
What are the key properties of 3-amino-2-bromocyclopentane-1-carboxylic acid?
3-amino-2-bromocyclopentane-1-carboxylic acid has a molecular weight of 208.05 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromocyclopentane-1-carboxylic acid is sourced from PubChem (CID 54079394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).