ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate

C13H25NO2 — CID 65083489

IUPACethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
SMILESCCOC(=O)CNC1CCCC(C)(C)CC1
InChIInChI=1S/C13H25NO2/c1-4-16-12(15)10-14-11-6-5-8-13(2,3)9-7-11/h11,14H,4-10H2,1-3H3
InChIKeyJEWRUTVGMVVPRP-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds4

About ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate

ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate (PubChem CID 65083489) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
PubChem CID65083489
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Nameethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
SMILESCCOC(=O)CNC1CCCC(C)(C)CC1
InChIInChI=1S/C13H25NO2/c1-4-16-12(15)10-14-11-6-5-8-13(2,3)9-7-11/h11,14H,4-10H2,1-3H3
InChIKeyJEWRUTVGMVVPRP-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 2-(4-propylheptan-4-ylamino)acetate
CID 12383923
ethyl-N-(cycloheptyl)glycinate
CID 13145542
N-cycloheptylglycine ethyl ester hydrochloride
CID 13145543
Ethyl 2-[(1-cyclohexylethyl)amino]acetate
CID 60810659
Ethyl 2-[(3,3,5-trimethylcyclohexyl)amino]acetate
CID 60811218
Ethyl 2-[(4-tert-butylcyclohexyl)amino]acetate
CID 60811994
Ethyl 2-[(2,2-dimethylcyclopentyl)amino]propanoate
CID 79860203
Ethyl 2-(spiro[2.3]hexan-5-ylamino)acetate
CID 89399868
Ethyl 2-(4-methylundecan-4-ylamino)acetate
CID 130356157
Ethyl 2-(3-methylheptan-3-ylamino)acetate
CID 130356182
methyl (2R)-2-(7-methyloctan-2-ylamino)propanoate
CID 134189825
Propan-2-yl 2-(2-methyloctan-2-ylamino)propanoate
CID 134255693

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate?
The IUPAC name of ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate (CID 65083489) is ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate is CCOC(=O)CNC1CCCC(C)(C)CC1.
What is the InChIKey of ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate?
The InChIKey is JEWRUTVGMVVPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-16-12(15)10-14-11-6-5-8-13(2,3)9-7-11/h11,14H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate?
ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate has a molecular weight of 227.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate is sourced from PubChem (CID 65083489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).