ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride

C14H27ClN2O3 — CID 119738207

IUPACethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C(C)CNC)CC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)9-15-3;/h10-12,15H,4-9H2,1-3H3,(H,16,17);1H
InChIKeyQWBGCIFJEGIBKI-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.50
Rot. Bonds6

About ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride

ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119738207) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
PubChem CID119738207
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Nameethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C(C)CNC)CC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)9-15-3;/h10-12,15H,4-9H2,1-3H3,(H,16,17);1H
InChIKeyQWBGCIFJEGIBKI-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride 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-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
ethyl 4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
N-cycloheptyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674669
ethyl 4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxylate
CID 62401631
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
N-cyclohexyl-2-methyl-3-(methylamino)propanamide
CID 79195893
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride (CID 119738207) is ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(NC(=O)C(C)CNC)CC1.Cl.
What is the InChIKey of ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is QWBGCIFJEGIBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-4-19-14(18)11-5-7-12(8-6-11)16-13(17)10(2)9-15-3;/h10-12,15H,4-9H2,1-3H3,(H,16,17);1H.
What are the key properties of ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119738207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).