4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid

C17H30N2O4 — CID 122006589

IUPAC4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOCCC1(CNC(=O)NC2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C17H30N2O4/c1-23-11-10-17(8-2-3-9-17)12-18-16(22)19-14-6-4-13(5-7-14)15(20)21/h13-14H,2-12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyMFKSFMGYBSNQTL-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.53
Rot. Bonds7

About 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122006589) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122006589
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOCCC1(CNC(=O)NC2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C17H30N2O4/c1-23-11-10-17(8-2-3-9-17)12-18-16(22)19-14-6-4-13(5-7-14)15(20)21/h13-14H,2-12H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyMFKSFMGYBSNQTL-UHFFFAOYSA-N
XLogP2.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793592
1-cyclobutyl-3-[[1-(2-methoxyethyl)cyclopropyl]methyl]urea
CID 103793976
cis-(1R,3S)-3-[(1-ethylcyclobutyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 114173120
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183538
1-[(3R)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-[[1-(2-methoxyethyl)cyclobutyl]methyl]urea
CID 97062806
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 105419513
4-[(1-hydroxy-2,2-dimethylcyclopentyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024696
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
cis-(1R,3S)-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319589

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122006589) is 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid is COCCC1(CNC(=O)NC2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is MFKSFMGYBSNQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-23-11-10-17(8-2-3-9-17)12-18-16(22)19-14-6-4-13(5-7-14)15(20)21/h13-14H,2-12H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 326.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122006589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).