2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid

C20H36N2O6 — CID 90205224

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C20H36N2O6/c1-19(2,3)27-17(25)21-11-12-22(18(26)28-20(4,5)6)15-9-7-14(8-10-15)13-16(23)24/h14-15H,7-13H2,1-6H3,(H,21,25)(H,23,24)
InChIKeyDPEPJEGWFJEONX-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.78
Rot. Bonds6

About 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid

2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid (PubChem CID 90205224) has the molecular formula C20H36N2O6 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
PubChem CID90205224
Molecular FormulaC20H36N2O6
Molecular Weight400.52 g/mol
Exact Mass400.26
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid
SMILESCC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C20H36N2O6/c1-19(2,3)27-17(25)21-11-12-22(18(26)28-20(4,5)6)15-9-7-14(8-10-15)13-16(23)24/h14-15H,7-13H2,1-6H3,(H,21,25)(H,23,24)
InChIKeyDPEPJEGWFJEONX-UHFFFAOYSA-N
XLogP3.78
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid with MolForge

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Related Compounds

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
tert-butyl N-cyclopropyl-N-[2-(2-methylpropylamino)ethyl]carbamate
CID 103880529
tert-butyl N-cyclopropyl-N-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 103780880
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
tert-butyl N-[4-(2-hydroxyethyl)cyclohexyl]-N-(3-oxopropyl)carbamate
CID 90205005
tert-butyl N-cyclopropyl-N-[2-(2,2-dimethoxyethylamino)ethyl]carbamate
CID 107246428
tert-butyl N-cyclopropyl-N-[2-(3-methylsulfanylpropylamino)ethyl]carbamate
CID 107246302
tert-butyl N-cyclopropyl-N-[2-[[N'-methyl-N-(3-methylbutan-2-yl)carbamimidoyl]amino]ethyl]carbamate
CID 111002179
tert-butyl N-cyclopropyl-N-[3-(prop-2-ynylamino)propyl]carbamate
CID 107242920
tert-butyl N-cyclopropyl-N-[3-(piperidin-4-ylmethylamino)propyl]carbamate
CID 107242902
tert-butyl N-cyclopropyl-N-[2-(oxan-3-ylmethylamino)ethyl]carbamate
CID 103921902

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid (CID 90205224) is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid is CC(C)(C)OC(=O)NCCN(C(=O)OC(C)(C)C)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid?
The InChIKey is DPEPJEGWFJEONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O6/c1-19(2,3)27-17(25)21-11-12-22(18(26)28-20(4,5)6)15-9-7-14(8-10-15)13-16(23)24/h14-15H,7-13H2,1-6H3,(H,21,25)(H,23,24).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid?
2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid has a molecular weight of 400.52 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 90205224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).