(2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid

C13H22N2O5 — CID 107841092

IUPAC(2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)NCCC1CCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c16-11(17)6-2-5-10(12(18)19)15-13(20)14-8-7-9-3-1-4-9/h9-10H,1-8H2,(H,16,17)(H,18,19)(H2,14,15,20)/t10-/m1/s1
InChIKeyOJDSIDHFMHTLLP-SNVBAGLBSA-N
MW286.33 g/mol
LogP1.18
Rot. Bonds9

About (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid

(2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid (PubChem CID 107841092) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid
PubChem CID107841092
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)NCCC1CCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c16-11(17)6-2-5-10(12(18)19)15-13(20)14-8-7-9-3-1-4-9/h9-10H,1-8H2,(H,16,17)(H,18,19)(H2,14,15,20)/t10-/m1/s1
InChIKeyOJDSIDHFMHTLLP-SNVBAGLBSA-N
XLogP1.18
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid (CID 107841092) is (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)NCCC1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid?
The InChIKey is OJDSIDHFMHTLLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-11(17)6-2-5-10(12(18)19)15-13(20)14-8-7-9-3-1-4-9/h9-10H,1-8H2,(H,16,17)(H,18,19)(H2,14,15,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid?
(2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid has a molecular weight of 286.33 g/mol, XLogP of 1.18, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclobutylethylcarbamoylamino)hexanedioic acid is sourced from PubChem (CID 107841092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).