(2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid

C20H28N2O4 — CID 57177400

IUPAC(2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid
SMILESNCCCC[C@](NC(=O)c1ccccc1)(C(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C20H28N2O4/c21-14-8-7-13-20(19(25)26,17(23)15-9-3-1-4-10-15)22-18(24)16-11-5-2-6-12-16/h2,5-6,11-12,15H,1,3-4,7-10,13-14,21H2,(H,22,24)(H,25,26)/t20-/m1/s1
InChIKeyXWSRIOYMSNCNOG-HXUWFJFHSA-N
MW360.45 g/mol
LogP2.52
Rot. Bonds9

About (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid

(2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid (PubChem CID 57177400) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid
PubChem CID57177400
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name(2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid
SMILESNCCCC[C@](NC(=O)c1ccccc1)(C(=O)O)C(=O)C1CCCCC1
InChIInChI=1S/C20H28N2O4/c21-14-8-7-13-20(19(25)26,17(23)15-9-3-1-4-10-15)22-18(24)16-11-5-2-6-12-16/h2,5-6,11-12,15H,1,3-4,7-10,13-14,21H2,(H,22,24)(H,25,26)/t20-/m1/s1
InChIKeyXWSRIOYMSNCNOG-HXUWFJFHSA-N
XLogP2.52
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid?
The IUPAC name of (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid (CID 57177400) is (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid.
What is the SMILES notation for (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid?
The canonical SMILES for (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid is NCCCC[C@](NC(=O)c1ccccc1)(C(=O)O)C(=O)C1CCCCC1.
What is the InChIKey of (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid?
The InChIKey is XWSRIOYMSNCNOG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H28N2O4/c21-14-8-7-13-20(19(25)26,17(23)15-9-3-1-4-10-15)22-18(24)16-11-5-2-6-12-16/h2,5-6,11-12,15H,1,3-4,7-10,13-14,21H2,(H,22,24)(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid?
(2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid has a molecular weight of 360.45 g/mol, XLogP of 2.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-benzamido-2-(cyclohexanecarbonyl)hexanoic acid is sourced from PubChem (CID 57177400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).