2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

C12H23N3O3 — CID 64816001

IUPAC2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCNCCN(C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H23N3O3/c1-13-7-8-15(2)12(18)14-10-6-4-3-5-9(10)11(16)17/h9-10,13H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKNWVCJUZNOHTAS-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.49
Rot. Bonds5

About 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid

2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64816001) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64816001
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCNCCN(C)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H23N3O3/c1-13-7-8-15(2)12(18)14-10-6-4-3-5-9(10)11(16)17/h9-10,13H,3-8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyKNWVCJUZNOHTAS-UHFFFAOYSA-N
XLogP0.49
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 79864609
2-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816735
2-[methyl-[2-(methylamino)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978815
2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815512
2-[[cyclopentyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816118
2-[[cyclopropyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816508
2-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815725
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64816348
2-[4-(methylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 64814365
3-[methyl-[[(1S,2S)-2-methylsulfanylcyclohexyl]carbamoyl]amino]propanoic acid
CID 122015188
2-[[butyl(cyclopropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 64818273
2-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64815373

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 64816001) is 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is CNCCN(C)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KNWVCJUZNOHTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-13-7-8-15(2)12(18)14-10-6-4-3-5-9(10)11(16)17/h9-10,13H,3-8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid?
2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64816001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).