cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid

C4H6BrNO2 — CID 10329917

IUPACcis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@@H]1Br
InChIInChI=1S/C4H6BrNO2/c5-2-1-4(2,6)3(7)8/h2H,1,6H2,(H,7,8)/t2-,4-/m0/s1
InChIKeyXBVSBWNGOARKPP-OKKQSCSOSA-N
MW180.00 g/mol
LogP-0.06
Rot. Bonds1

About cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid

cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid (PubChem CID 10329917) has the molecular formula C4H6BrNO2 and a molecular weight of 180.00 g/mol. Its IUPAC name is cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
PubChem CID10329917
Molecular FormulaC4H6BrNO2
Molecular Weight180.00 g/mol
Exact Mass178.96
IUPAC Namecis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@@H]1Br
InChIInChI=1S/C4H6BrNO2/c5-2-1-4(2,6)3(7)8/h2H,1,6H2,(H,7,8)/t2-,4-/m0/s1
InChIKeyXBVSBWNGOARKPP-OKKQSCSOSA-N
XLogP-0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.00
LogP ≤ 5-0.06
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

4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
trans-(1R,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 121215505
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 43810883
1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 75132599
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
2-aminobicyclo[2.1.1]hexane-2-carboxylic acid;carbon dioxide
CID 169432154
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747
(1R,3S,4S)-3-amino-1,4-dimethylcyclopentane-1,3-dicarboxylic acid
CID 99995862
(2R)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 164889497
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
CID 102274744
1-aminocyclopentane-1,2-dicarboxylic acid;azane
CID 54610731

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid (CID 10329917) is cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid is N[C@@]1(C(=O)O)C[C@@H]1Br.
What is the InChIKey of cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid?
The InChIKey is XBVSBWNGOARKPP-OKKQSCSOSA-N. The full InChI is InChI=1S/C4H6BrNO2/c5-2-1-4(2,6)3(7)8/h2H,1,6H2,(H,7,8)/t2-,4-/m0/s1.
What are the key properties of cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid?
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid has a molecular weight of 180.00 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid is sourced from PubChem (CID 10329917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).