ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate

C13H24N2O3 — CID 62638586

IUPACethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C(C)NC)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)10-5-7-11(8-6-10)15-12(16)9(2)14-3/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyHFZJHDOFBARYFG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.83
Rot. Bonds5

About ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate

ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate (PubChem CID 62638586) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
PubChem CID62638586
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)C(C)NC)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)10-5-7-11(8-6-10)15-12(16)9(2)14-3/h9-11,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyHFZJHDOFBARYFG-UHFFFAOYSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738207
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
ethyl 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
ethyl 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61498803
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate (CID 62638586) is ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)C(C)NC)CC1.
What is the InChIKey of ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate?
The InChIKey is HFZJHDOFBARYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-13(17)10-5-7-11(8-6-10)15-12(16)9(2)14-3/h9-11,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate?
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 62638586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).