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

C14H26N2O4 — CID 104763909

IUPAC2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)CNC(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,20-3)9-16-13(19)15-8-10-6-4-5-7-11(10)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyZEGKNVWXNIMOQH-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.60
Rot. Bonds6

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

2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 104763909) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID104763909
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)CNC(=O)NCC1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,20-3)9-16-13(19)15-8-10-6-4-5-7-11(10)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyZEGKNVWXNIMOQH-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-methoxy-2-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 114105255
2-[[(3-methoxy-3-methylbutyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103034722
2-[(2,2,3,3-tetrafluoropropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106294840
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 83112749
2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 113266935
2-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 106005026
2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 83114129
2-[[2-(2-amino-2-oxoethoxy)ethylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106239832
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 104764733
2-[[(2-amino-3-hydroxy-3-methylbutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 164549534
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114101428

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 104763909) is 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is COC(C)(C)CNC(=O)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZEGKNVWXNIMOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,20-3)9-16-13(19)15-8-10-6-4-5-7-11(10)12(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid?
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104763909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).