5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C13H23NO4 — CID 55156925

IUPAC5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1CCCCC1O
InChIInChI=1S/C13H23NO4/c1-13(2,8-12(17)18)7-11(16)14-9-5-3-4-6-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVQGUTPUDVGGZGE-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.30
Rot. Bonds5

About 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 55156925) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID55156925
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NC1CCCCC1O
InChIInChI=1S/C13H23NO4/c1-13(2,8-12(17)18)7-11(16)14-9-5-3-4-6-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyVQGUTPUDVGGZGE-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 55156925) is 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NC1CCCCC1O.
What is the InChIKey of 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is VQGUTPUDVGGZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,8-12(17)18)7-11(16)14-9-5-3-4-6-10(9)15/h9-10,15H,3-8H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxycyclohexyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 55156925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).