ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate

C11H19NO4 — CID 115270432

IUPACethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)OC)CC1
InChIInChI=1S/C11H19NO4/c1-3-16-10(13)8-4-6-9(7-5-8)12-11(14)15-2/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyHBWQWYNSECQBTG-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.46
Rot. Bonds3

About ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate

ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate (PubChem CID 115270432) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
PubChem CID115270432
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)OC)CC1
InChIInChI=1S/C11H19NO4/c1-3-16-10(13)8-4-6-9(7-5-8)12-11(14)15-2/h8-9H,3-7H2,1-2H3,(H,12,14)
InChIKeyHBWQWYNSECQBTG-UHFFFAOYSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylate;hydrochloride
CID 119297446
ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate
CID 79204995
ethyl 4-(cycloheptylamino)cyclohexane-1-carboxylate
CID 54867024
ethyl 4-(cyclooctylamino)cyclohexane-1-carboxylate
CID 60934314
ethyl 4-[[2-methyl-3-(methylamino)propanoyl]amino]cyclohexane-1-carboxylate;hydrochloride
CID 119738207

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate (CID 115270432) is ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)OC)CC1.
What is the InChIKey of ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate?
The InChIKey is HBWQWYNSECQBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-16-10(13)8-4-6-9(7-5-8)12-11(14)15-2/h8-9H,3-7H2,1-2H3,(H,12,14).
What are the key properties of ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate?
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 115270432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).