cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate

C7H13NO2 — CID 14698811

IUPACcis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C7H13NO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1
InChIKeyRGXCCQQWSIEIEF-RITPCOANSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds1

About cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate

cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate (PubChem CID 14698811) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate
PubChem CID14698811
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namecis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C7H13NO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1
InChIKeyRGXCCQQWSIEIEF-RITPCOANSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate (CID 14698811) is cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC[C@@H]1N.
What is the InChIKey of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The InChIKey is RGXCCQQWSIEIEF-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-7(9)5-3-2-4-6(5)8/h5-6H,2-4,8H2,1H3/t5-,6+/m1/s1.
What are the key properties of cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 14698811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).