ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate

C14H24N2O3 — CID 55147699

IUPACethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1CCCC(N)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)9-16(12-6-7-12)14(18)10-4-3-5-11(15)8-10/h10-12H,2-9,15H2,1H3
InChIKeyZXTSKNJFKYKEHT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds5

About ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate

ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate (PubChem CID 55147699) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
PubChem CID55147699
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1CCCC(N)C1)C1CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-13(17)9-16(12-6-7-12)14(18)10-4-3-5-11(15)8-10/h10-12H,2-9,15H2,1H3
InChIKeyZXTSKNJFKYKEHT-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
ethyl 2-[(3-aminocyclohexanecarbonyl)-(2-methylpropyl)amino]acetate
CID 63046601
3-amino-N-cyclohexyl-N-ethylcyclohexane-1-carboxamide;hydrochloride
CID 119674160
ethyl 2-[(2-aminoacetyl)-cyclobutylamino]acetate
CID 69042060
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
methyl 2-[(3-aminocyclohexanecarbonyl)-propylamino]acetate
CID 55147309
3-amino-N,N-bis(2-ethoxyethyl)cyclohexane-1-carboxamide
CID 82959930
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylcyclohexane-1-carboxamide
CID 62776151
N-(4-aminocyclohexyl)-N-ethylcyclobutanecarboxamide
CID 79116436
3-amino-N-methyl-N-propylcyclohexane-1-carboxamide
CID 62778074
ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate?
The IUPAC name of ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate (CID 55147699) is ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate?
The canonical SMILES for ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate is CCOC(=O)CN(C(=O)C1CCCC(N)C1)C1CC1.
What is the InChIKey of ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate?
The InChIKey is ZXTSKNJFKYKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-13(17)9-16(12-6-7-12)14(18)10-4-3-5-11(15)8-10/h10-12H,2-9,15H2,1H3.
What are the key properties of ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate?
ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate has a molecular weight of 268.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-aminocyclohexanecarbonyl)-cyclopropylamino]acetate is sourced from PubChem (CID 55147699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).