methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate

C13H24N2O2 — CID 79654658

IUPACmethyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(N(C)C2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-15(10-5-3-4-6-10)11-7-8-13(14,9-11)12(16)17-2/h10-11H,3-9,14H2,1-2H3
InChIKeyZUCSJFSXGZXZNA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.28
Rot. Bonds3

About methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate

methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate (PubChem CID 79654658) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
PubChem CID79654658
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(N(C)C2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-15(10-5-3-4-6-10)11-7-8-13(14,9-11)12(16)17-2/h10-11H,3-9,14H2,1-2H3
InChIKeyZUCSJFSXGZXZNA-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate (CID 79654658) is methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(N(C)C2CCCC2)C1.
What is the InChIKey of methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate?
The InChIKey is ZUCSJFSXGZXZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15(10-5-3-4-6-10)11-7-8-13(14,9-11)12(16)17-2/h10-11H,3-9,14H2,1-2H3.
What are the key properties of methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate?
methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[cyclopentyl(methyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79654658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).