2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

C16H30N2O3 — CID 107817457

IUPAC2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCCCCC(CC)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-6-8-12(5-2)11-17-15(21)18-13-9-7-10-16(13,3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyQHALLVVOSMYZAF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.15
Rot. Bonds8

About 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid

2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 107817457) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID107817457
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCCCCC(CC)CNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-4-6-8-12(5-2)11-17-15(21)18-13-9-7-10-16(13,3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyQHALLVVOSMYZAF-UHFFFAOYSA-N
XLogP3.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
2-(2-methoxypropylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 102699709
1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 113363228
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
2-(hex-1-yn-3-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 106232592
1-(2-ethylhexyl)-3-(4-hydroxycyclohexyl)urea
CID 75885262
1-methyl-2-(pent-4-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106222835
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764156
2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763720

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid (CID 107817457) is 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is CCCCC(CC)CNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is QHALLVVOSMYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-6-8-12(5-2)11-17-15(21)18-13-9-7-10-16(13,3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 3.15, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 107817457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).