(3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate

C14H25NO3 — CID 82762273

IUPAC(3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCOC1CCCC(OC(=O)C2(C)CCCC2N)C1
InChIInChI=1S/C14H25NO3/c1-14(8-4-7-12(14)15)13(16)18-11-6-3-5-10(9-11)17-2/h10-12H,3-9,15H2,1-2H3
InChIKeyLMDQMDYJAATUMA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.00
Rot. Bonds3

About (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate

(3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate (PubChem CID 82762273) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name(3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
PubChem CID82762273
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate
SMILESCOC1CCCC(OC(=O)C2(C)CCCC2N)C1
InChIInChI=1S/C14H25NO3/c1-14(8-4-7-12(14)15)13(16)18-11-6-3-5-10(9-11)17-2/h10-12H,3-9,15H2,1-2H3
InChIKeyLMDQMDYJAATUMA-UHFFFAOYSA-N
XLogP2.00
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The IUPAC name of (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate (CID 82762273) is (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The canonical SMILES for (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate is COC1CCCC(OC(=O)C2(C)CCCC2N)C1.
What is the InChIKey of (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
The InChIKey is LMDQMDYJAATUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-14(8-4-7-12(14)15)13(16)18-11-6-3-5-10(9-11)17-2/h10-12H,3-9,15H2,1-2H3.
What are the key properties of (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate?
(3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclohexyl) 2-amino-1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 82762273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).