methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate

C14H27NO4 — CID 113330775

IUPACmethyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C1CCCCCC1O
InChIInChI=1S/C14H27NO4/c1-18-11-10-15(9-8-14(17)19-2)12-6-4-3-5-7-13(12)16/h12-13,16H,3-11H2,1-2H3
InChIKeyOZZLDUIORVRMKH-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.19
Rot. Bonds7

About methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 113330775) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate
PubChem CID113330775
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namemethyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C1CCCCCC1O
InChIInChI=1S/C14H27NO4/c1-18-11-10-15(9-8-14(17)19-2)12-6-4-3-5-7-13(12)16/h12-13,16H,3-11H2,1-2H3
InChIKeyOZZLDUIORVRMKH-UHFFFAOYSA-N
XLogP1.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate (CID 113330775) is methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C1CCCCCC1O.
What is the InChIKey of methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is OZZLDUIORVRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-18-11-10-15(9-8-14(17)19-2)12-6-4-3-5-7-13(12)16/h12-13,16H,3-11H2,1-2H3.
What are the key properties of methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 273.37 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxycycloheptyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 113330775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).