cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate

C10H19NO2 — CID 10012640

IUPACcis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7-8H,4-6,11H2,1-3H3/t7-,8+/m1/s1
InChIKeyTUOXUKFPVXCENT-SFYZADRCSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds1

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

cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate (PubChem CID 10012640) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate
PubChem CID10012640
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1N
InChIInChI=1S/C10H19NO2/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7-8H,4-6,11H2,1-3H3/t7-,8+/m1/s1
InChIKeyTUOXUKFPVXCENT-SFYZADRCSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate (CID 10012640) is cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1N.
What is the InChIKey of cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
The InChIKey is TUOXUKFPVXCENT-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)13-9(12)7-5-4-6-8(7)11/h7-8H,4-6,11H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate?
cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1R,2S)-2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 10012640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).