methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate

C12H22N2O3 — CID 60687528

IUPACmethyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O3/c1-17-12(16)9-13-8-11(15)14-10-6-4-2-3-5-7-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeySTKPDXAHNBGINS-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.59
Rot. Bonds5

About methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate

methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate (PubChem CID 60687528) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
PubChem CID60687528
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
SMILESCOC(=O)CNCC(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O3/c1-17-12(16)9-13-8-11(15)14-10-6-4-2-3-5-7-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeySTKPDXAHNBGINS-UHFFFAOYSA-N
XLogP0.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
N-cyclohexyl-2-(3-methoxypropylamino)acetamide
CID 43089974
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
N-cycloheptyl-2-[(4-ethylcyclohexyl)methylamino]acetamide
CID 63492902
N-cyclooctylpropanamide
CID 3387497
N-cyclodecylpropanamide
CID 122483649
N-cyclododecylpropanamide
CID 2784600
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
N-cyclohexyl-2-(2,3-dimethoxypropylamino)acetamide
CID 114099798
methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
N-cycloheptyl-2-(2,3-dimethylbutylamino)acetamide
CID 64596656
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate (CID 60687528) is methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate is COC(=O)CNCC(=O)NC1CCCCCC1.
What is the InChIKey of methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate?
The InChIKey is STKPDXAHNBGINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-12(16)9-13-8-11(15)14-10-6-4-2-3-5-7-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate?
methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 60687528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).