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

C11H19N3O4 — CID 64817864

IUPAC2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CNC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H19N3O4/c1-12-9(15)6-13-11(18)14-8-5-3-2-4-7(8)10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyCFTDIASLALUDRM-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.32
Rot. Bonds4

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

2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 64817864) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID64817864
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCNC(=O)CNC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C11H19N3O4/c1-12-9(15)6-13-11(18)14-8-5-3-2-4-7(8)10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18)
InChIKeyCFTDIASLALUDRM-UHFFFAOYSA-N
XLogP-0.32
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817296
2-[(2-acetamidoacetyl)amino]cyclohexane-1-carboxylic acid
CID 64814150
2-[(4-methylcyclohexyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816374
2-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64812284
2-(3-methoxypropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817862
cis-(1S,2R)-2-(methylamino)cyclohexane-1-carboxylic acid
CID 66806131
trans-(1S,2S)-2-(methylamino)cyclohexane-1-carboxylic acid;hydrobromide
CID 118692709
2-(7-methyloctylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 107817216
2-[2-(2-methylprop-2-enoxy)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 114469505
2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816743
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816503

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 64817864) is 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid is CNC(=O)CNC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CFTDIASLALUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-12-9(15)6-13-11(18)14-8-5-3-2-4-7(8)10(16)17/h7-8H,2-6H2,1H3,(H,12,15)(H,16,17)(H2,13,14,18).
What are the key properties of 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid?
2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64817864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).