3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid

C14H26N2O4 — CID 65264216

IUPAC3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)NC1CCCCC1O)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-13(2,11(18)19)14(3,4)16-12(20)15-9-7-5-6-8-10(9)17/h9-10,17H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyFLISXKCHZYICNG-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.48
Rot. Bonds4

About 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid

3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid (PubChem CID 65264216) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
PubChem CID65264216
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)NC1CCCCC1O)C(C)(C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-13(2,11(18)19)14(3,4)16-12(20)15-9-7-5-6-8-10(9)17/h9-10,17H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20)
InChIKeyFLISXKCHZYICNG-UHFFFAOYSA-N
XLogP1.48
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid (CID 65264216) is 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)NC1CCCCC1O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
The InChIKey is FLISXKCHZYICNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-13(2,11(18)19)14(3,4)16-12(20)15-9-7-5-6-8-10(9)17/h9-10,17H,5-8H2,1-4H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid?
3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxycyclohexyl)carbamoylamino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65264216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).