methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate

C14H25NO3 — CID 54892651

IUPACmethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate
SMILESCOC(=O)C(NC1CCCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO3/c1-17-14(16)13(11-8-9-18-10-11)15-12-6-4-2-3-5-7-12/h11-13,15H,2-10H2,1H3
InChIKeyUIIKMPILYHHFST-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate

methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate (PubChem CID 54892651) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate
PubChem CID54892651
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate
SMILESCOC(=O)C(NC1CCCCCC1)C1CCOC1
InChIInChI=1S/C14H25NO3/c1-17-14(16)13(11-8-9-18-10-11)15-12-6-4-2-3-5-7-12/h11-13,15H,2-10H2,1H3
InChIKeyUIIKMPILYHHFST-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
The IUPAC name of methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate (CID 54892651) is methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate is COC(=O)C(NC1CCCCCC1)C1CCOC1.
What is the InChIKey of methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
The InChIKey is UIIKMPILYHHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-17-14(16)13(11-8-9-18-10-11)15-12-6-4-2-3-5-7-12/h11-13,15H,2-10H2,1H3.
What are the key properties of methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate?
methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate has a molecular weight of 255.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cycloheptylamino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 54892651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).