4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid

C11H18N2O5 — CID 61183538

IUPAC4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18N2O5/c1-18-9(14)6-12-11(17)13-8-4-2-7(3-5-8)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyXXTFAVCIUQXQRR-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.10
Rot. Bonds4

About 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61183538) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61183538
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOC(=O)CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H18N2O5/c1-18-9(14)6-12-11(17)13-8-4-2-7(3-5-8)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyXXTFAVCIUQXQRR-UHFFFAOYSA-N
XLogP0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbut-2-enylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 106191136
4-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006589
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 79381463
4-[[(4-hydroxycyclohexyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 79524947
4-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122007737
4-(5,5-dimethylhexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 122000907
4-(2-propan-2-yloxyethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113450614
4-[(2-cyclohexyl-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122008436
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362
4-[2-(3,5-dimethoxyphenoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006870
cis-(1R,3S)-3-(cyclopropylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106323981

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61183538) is 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid is COC(=O)CNC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is XXTFAVCIUQXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-9(14)6-12-11(17)13-8-4-2-7(3-5-8)10(15)16/h7-8H,2-6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61183538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).