2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid

C11H21N3O3 — CID 83017392

IUPAC2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
SMILESCN(C)NC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H21N3O3/c1-14(2)13-11(17)12-9(10(15)16)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyZCUFRGHZKCXBPO-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.80
Rot. Bonds4

About 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid

2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid (PubChem CID 83017392) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
PubChem CID83017392
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
SMILESCN(C)NC(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H21N3O3/c1-14(2)13-11(17)12-9(10(15)16)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)
InChIKeyZCUFRGHZKCXBPO-UHFFFAOYSA-N
XLogP0.80
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetic acid
CID 82938789
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560
1-cyclohexyl-3-(dimethylamino)urea
CID 3617823
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-cyclopropylacetic acid
CID 63316974
2-cyclohexyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 61195307
2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
CID 61199364
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclopropyl-2-[2-(dimethylamino)ethylcarbamoylamino]acetic acid
CID 62695644
2-cyclohexyl-2-[3-(methylamino)propylcarbamoylamino]acetic acid
CID 61404684
2-cyclohexyl-2-[(1-methylcyclopropyl)methylcarbamoylamino]acetic acid
CID 113364251
2-cyclohexyl-2-(2-methylbutylcarbamoylamino)acetic acid
CID 55108414

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid (CID 83017392) is 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid is CN(C)NC(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid?
The InChIKey is ZCUFRGHZKCXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-14(2)13-11(17)12-9(10(15)16)8-6-4-3-5-7-8/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17).
What are the key properties of 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid?
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid has a molecular weight of 243.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid is sourced from PubChem (CID 83017392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).