cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate

C10H19NO2 — CID 10986985

IUPACcis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@](C)(N)C1(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)7(8(12)13-4)5-6-10(9,3)11/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1
InChIKeyHIZTUNHLRJVCLL-GMSGAONNSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds1

About cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate

cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate (PubChem CID 10986985) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
PubChem CID10986985
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namecis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@](C)(N)C1(C)C
InChIInChI=1S/C10H19NO2/c1-9(2)7(8(12)13-4)5-6-10(9,3)11/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1
InChIKeyHIZTUNHLRJVCLL-GMSGAONNSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate (CID 10986985) is cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@@](C)(N)C1(C)C.
What is the InChIKey of cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate?
The InChIKey is HIZTUNHLRJVCLL-GMSGAONNSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)7(8(12)13-4)5-6-10(9,3)11/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1.
What are the key properties of cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate?
cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3R)-3-amino-2,2,3-trimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 10986985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).