3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid

C11H20N2O4 — CID 66176192

IUPAC3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(17,10(15)16)6-13-9(14)7-4-2-3-5-8(7)12/h7-8,17H,2-6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyVFBUITBMVNVXJZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.54
Rot. Bonds4

About 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid

3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 66176192) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID66176192
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)C1CCCCC1N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(17,10(15)16)6-13-9(14)7-4-2-3-5-8(7)12/h7-8,17H,2-6,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyVFBUITBMVNVXJZ-UHFFFAOYSA-N
XLogP-0.54
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid (CID 66176192) is 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid is CC(O)(CNC(=O)C1CCCCC1N)C(=O)O.
What is the InChIKey of 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is VFBUITBMVNVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(17,10(15)16)6-13-9(14)7-4-2-3-5-8(7)12/h7-8,17H,2-6,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid?
3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminocyclohexanecarbonyl)amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66176192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).