ethyl 2-(cycloheptylamino)acetate;hydrochloride

C11H22ClNO2 — CID 13145543

IUPACethyl 2-(cycloheptylamino)acetate;hydrochloride
SMILESCCOC(=O)CNC1CCCCCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-11(13)9-12-10-7-5-3-4-6-8-10;/h10,12H,2-9H2,1H3;1H
InChIKeyGGKZZEVERRJXHN-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.28
Rot. Bonds4

About ethyl 2-(cycloheptylamino)acetate;hydrochloride

ethyl 2-(cycloheptylamino)acetate;hydrochloride (PubChem CID 13145543) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is ethyl 2-(cycloheptylamino)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(cycloheptylamino)acetate;hydrochloride
PubChem CID13145543
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-(cycloheptylamino)acetate;hydrochloride
SMILESCCOC(=O)CNC1CCCCCC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-2-14-11(13)9-12-10-7-5-3-4-6-8-10;/h10,12H,2-9H2,1H3;1H
InChIKeyGGKZZEVERRJXHN-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88789801
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CID 588314
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CID 113845254
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CID 116534534
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cycloheptylamino)acetate;hydrochloride?
The IUPAC name of ethyl 2-(cycloheptylamino)acetate;hydrochloride (CID 13145543) is ethyl 2-(cycloheptylamino)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(cycloheptylamino)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(cycloheptylamino)acetate;hydrochloride is CCOC(=O)CNC1CCCCCC1.Cl.
What is the InChIKey of ethyl 2-(cycloheptylamino)acetate;hydrochloride?
The InChIKey is GGKZZEVERRJXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-2-14-11(13)9-12-10-7-5-3-4-6-8-10;/h10,12H,2-9H2,1H3;1H.
What are the key properties of ethyl 2-(cycloheptylamino)acetate;hydrochloride?
ethyl 2-(cycloheptylamino)acetate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cycloheptylamino)acetate;hydrochloride is sourced from PubChem (CID 13145543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).