2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

C14H26N2O4 — CID 64815427

IUPAC2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCCC(COC)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-6-10(9-20-2)15-14(19)16-12-8-5-4-7-11(12)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeySJLXYROPDZNJAV-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds7

About 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid

2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 64815427) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID64815427
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESCCCC(COC)NC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-6-10(9-20-2)15-14(19)16-12-8-5-4-7-11(12)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeySJLXYROPDZNJAV-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817719
2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817528
2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817341
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
2-amino-N-(1-methoxypentan-2-yl)cyclopentane-1-carboxamide
CID 64850676
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
1-(1-methoxypentan-2-yl)-3-propylurea
CID 116656269
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 103112486
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 64815427) is 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is CCCC(COC)NC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SJLXYROPDZNJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-6-10(9-20-2)15-14(19)16-12-8-5-4-7-11(12)13(17)18/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64815427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).