methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate

C13H24N2O3 — CID 55147309

IUPACmethyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H24N2O3/c1-3-7-15(9-12(16)18-2)13(17)10-5-4-6-11(14)8-10/h10-11H,3-9,14H2,1-2H3
InChIKeyNAILCJFECJPFMH-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.92
Rot. Bonds5

About methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate

methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate (PubChem CID 55147309) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
PubChem CID55147309
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H24N2O3/c1-3-7-15(9-12(16)18-2)13(17)10-5-4-6-11(14)8-10/h10-11H,3-9,14H2,1-2H3
InChIKeyNAILCJFECJPFMH-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide
CID 119746849
3-amino-N-(cyclohexylmethyl)-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119746848
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
CID 63046601
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119682416
methyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79776867
methyl 2-[oxolane-3-carbonyl(propyl)amino]acetate
CID 55208335
3-amino-N,N-bis(2-methylpropyl)cyclohexane-1-carboxamide
CID 55134536
ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
CID 55147699
methyl 2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-propylamino]acetate
CID 102628522

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate?
The IUPAC name of methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate (CID 55147309) is methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate.
What is the SMILES notation for methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate?
The canonical SMILES for methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate is CCCN(CC(=O)OC)C(=O)C1CCCC(N)C1.
What is the InChIKey of methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate?
The InChIKey is NAILCJFECJPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-15(9-12(16)18-2)13(17)10-5-4-6-11(14)8-10/h10-11H,3-9,14H2,1-2H3.
What are the key properties of methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate?
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate is sourced from PubChem (CID 55147309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).