4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate

C12H23NO2 — CID 64816868

IUPAC4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate
SMILESCC(C)CC(C)OC(=O)C1CCCC1N
InChIInChI=1S/C12H23NO2/c1-8(2)7-9(3)15-12(14)10-5-4-6-11(10)13/h8-11H,4-7,13H2,1-3H3
InChIKeyQQRGVNCMIBMGNA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.09
Rot. Bonds4

About 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate

4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate (PubChem CID 64816868) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Name4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate
PubChem CID64816868
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate
SMILESCC(C)CC(C)OC(=O)C1CCCC1N
InChIInChI=1S/C12H23NO2/c1-8(2)7-9(3)15-12(14)10-5-4-6-11(10)13/h8-11H,4-7,13H2,1-3H3
InChIKeyQQRGVNCMIBMGNA-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate?
The IUPAC name of 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate (CID 64816868) is 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate?
The canonical SMILES for 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate is CC(C)CC(C)OC(=O)C1CCCC1N.
What is the InChIKey of 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate?
The InChIKey is QQRGVNCMIBMGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)7-9(3)15-12(14)10-5-4-6-11(10)13/h8-11H,4-7,13H2,1-3H3.
What are the key properties of 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate?
4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentan-2-yl 2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 64816868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).