2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid

C11H20N2O3 — CID 118034860

IUPAC2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid
SMILESCN(C)C(=O)NC1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-13(2)11(16)12-9-5-3-8(4-6-9)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyKCZGQVQWQAJXSN-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds3

About 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid

2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid (PubChem CID 118034860) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid
PubChem CID118034860
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid
SMILESCN(C)C(=O)NC1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-13(2)11(16)12-9-5-3-8(4-6-9)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyKCZGQVQWQAJXSN-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid (CID 118034860) is 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid is CN(C)C(=O)NC1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid?
The InChIKey is KCZGQVQWQAJXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(2)11(16)12-9-5-3-8(4-6-9)7-10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid?
2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylcarbamoylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 118034860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).