ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate

C17H29NO4 — CID 135076172

IUPACethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1
InChIInChI=1S/C17H29NO4/c1-5-21-15(19)12-6-8-13(9-7-12)18(14-10-11-14)16(20)22-17(2,3)4/h12-14H,5-11H2,1-4H3
InChIKeyZGBUMRIVWCULMK-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.51
Rot. Bonds4

About ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate

ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate (PubChem CID 135076172) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
PubChem CID135076172
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Nameethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1
InChIInChI=1S/C17H29NO4/c1-5-21-15(19)12-6-8-13(9-7-12)18(14-10-11-14)16(20)22-17(2,3)4/h12-14H,5-11H2,1-4H3
InChIKeyZGBUMRIVWCULMK-UHFFFAOYSA-N
XLogP3.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]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

tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
azane;ethyl cyclopropanecarboxylate;hydrochloride
CID 174491802
ethyl 4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 113352339
ethyl 4-chlorocyclohexane-1-carboxylate
CID 44558677
ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 126501888
ethyl 1-[N-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156890
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
CID 156823405
4-O-tert-butyl 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983945
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
2-[[4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]acetic acid
CID 66566460
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate (CID 135076172) is ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1.
What is the InChIKey of ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate?
The InChIKey is ZGBUMRIVWCULMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-5-21-15(19)12-6-8-13(9-7-12)18(14-10-11-14)16(20)22-17(2,3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate?
ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate has a molecular weight of 311.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 135076172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).