methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate

C14H25NO3 — CID 79648507

IUPACmethyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-11-7-8-14(9-11,12(16)17-4)15-10-5-6-10/h10-11,15H,5-9H2,1-4H3
InChIKeyMLJPZEISQMKHCG-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.02
Rot. Bonds4

About methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate (PubChem CID 79648507) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
PubChem CID79648507
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCC(OC(C)(C)C)C1
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-11-7-8-14(9-11,12(16)17-4)15-10-5-6-10/h10-11,15H,5-9H2,1-4H3
InChIKeyMLJPZEISQMKHCG-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate (CID 79648507) is methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCC(OC(C)(C)C)C1.
What is the InChIKey of methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
The InChIKey is MLJPZEISQMKHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-11-7-8-14(9-11,12(16)17-4)15-10-5-6-10/h10-11,15H,5-9H2,1-4H3.
What are the key properties of methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylate is sourced from PubChem (CID 79648507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).