1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid

C14H26N2O4 — CID 114943563

IUPAC1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(C)(C)CNC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O4/c1-4-20-13(2,3)10-15-12(19)16-14(11(17)18)8-6-5-7-9-14/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFRQABUQKMVZLFZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.89
Rot. Bonds6

About 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid

1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 114943563) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID114943563
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCCOC(C)(C)CNC(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H26N2O4/c1-4-20-13(2,3)10-15-12(19)16-14(11(17)18)8-6-5-7-9-14/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFRQABUQKMVZLFZ-UHFFFAOYSA-N
XLogP1.89
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 103463181
2-[1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclopentyl]acetic acid
CID 114943589
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163246
N-(2-ethoxy-2-methylpropyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 114942287
1-[[2-(diethylamino)-2-oxoethyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 16787443
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163265
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 114943563) is 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid is CCOC(C)(C)CNC(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is FRQABUQKMVZLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-20-13(2,3)10-15-12(19)16-14(11(17)18)8-6-5-7-9-14/h4-10H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid?
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114943563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).