ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride

C14H27ClN2O3 — CID 119297446

IUPACethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C(N)C(C)C)CC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-19-14(18)10-5-7-11(8-6-10)16-13(17)12(15)9(2)3;/h9-12H,4-8,15H2,1-3H3,(H,16,17);1H
InChIKeyCDFIWXRUYMLPMQ-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.63
Rot. Bonds5

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

ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride (PubChem CID 119297446) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
PubChem CID119297446
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Nameethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CCC(NC(=O)C(N)C(C)C)CC1.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-19-14(18)10-5-7-11(8-6-10)16-13(17)12(15)9(2)3;/h9-12H,4-8,15H2,1-3H3,(H,16,17);1H
InChIKeyCDFIWXRUYMLPMQ-UHFFFAOYSA-N
XLogP1.63
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(2-amino-3-methylbutanoyl)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-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738203
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-[[2-(aminomethyl)-3-methylbutanoyl]amino]cyclohexane-1-carboxylate
CID 65229579
ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738207
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-(2-methylpentan-3-ylamino)cyclohexane-1-carboxylate
CID 54866931
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride (CID 119297446) is ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride is CCOC(=O)C1CCC(NC(=O)C(N)C(C)C)CC1.Cl.
What is the InChIKey of ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride?
The InChIKey is CDFIWXRUYMLPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-4-19-14(18)10-5-7-11(8-6-10)16-13(17)12(15)9(2)3;/h9-12H,4-8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride?
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119297446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).