5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid

C22H37NO5 — CID 14557706

IUPAC5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
SMILESO=C(O)CCNC(=O)C(CC1CCCCC1)CC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C22H37NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h16-19H,1-15H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyNJLBECLJORBIQZ-UHFFFAOYSA-N
MW395.54 g/mol
LogP4.23
Rot. Bonds11

About 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid

5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid (PubChem CID 14557706) has the molecular formula C22H37NO5 and a molecular weight of 395.54 g/mol. Its IUPAC name is 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
PubChem CID14557706
Molecular FormulaC22H37NO5
Molecular Weight395.54 g/mol
Exact Mass395.27
IUPAC Name5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid
SMILESO=C(O)CCNC(=O)C(CC1CCCCC1)CC(CC1CCCCC1)C(=O)O
InChIInChI=1S/C22H37NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h16-19H,1-15H2,(H,23,26)(H,24,25)(H,27,28)
InChIKeyNJLBECLJORBIQZ-UHFFFAOYSA-N
XLogP4.23
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.54
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic 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 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
The IUPAC name of 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid (CID 14557706) is 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid is O=C(O)CCNC(=O)C(CC1CCCCC1)CC(CC1CCCCC1)C(=O)O.
What is the InChIKey of 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
The InChIKey is NJLBECLJORBIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO5/c24-20(25)11-12-23-21(26)18(13-16-7-3-1-4-8-16)15-19(22(27)28)14-17-9-5-2-6-10-17/h16-19H,1-15H2,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid?
5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid has a molecular weight of 395.54 g/mol, XLogP of 4.23, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxyethylamino)-2,4-bis(cyclohexylmethyl)-5-oxopentanoic acid is sourced from PubChem (CID 14557706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).