5-(carboxymethylamino)-2-(methylamino)pentanoic acid

C8H16N2O4 — CID 59961578

IUPAC5-(carboxymethylamino)-2-(methylamino)pentanoic acid
SMILESCNC(CCCNCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-9-6(8(13)14)3-2-4-10-5-7(11)12/h6,9-10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyRDXBGMLUNCAAAZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.89
Rot. Bonds8

About 5-(carboxymethylamino)-2-(methylamino)pentanoic acid

5-(carboxymethylamino)-2-(methylamino)pentanoic acid (PubChem CID 59961578) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(carboxymethylamino)-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(carboxymethylamino)-2-(methylamino)pentanoic acid
PubChem CID59961578
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name5-(carboxymethylamino)-2-(methylamino)pentanoic acid
SMILESCNC(CCCNCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-9-6(8(13)14)3-2-4-10-5-7(11)12/h6,9-10H,2-5H2,1H3,(H,11,12)(H,13,14)
InChIKeyRDXBGMLUNCAAAZ-UHFFFAOYSA-N
XLogP-0.89
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(carboxymethylamino)-2-(methylamino)pentanoic 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-(carboxymethylamino)-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(carboxymethylamino)-2-(methylamino)pentanoic acid (CID 59961578) is 5-(carboxymethylamino)-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(carboxymethylamino)-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(carboxymethylamino)-2-(methylamino)pentanoic acid is CNC(CCCNCC(=O)O)C(=O)O.
What is the InChIKey of 5-(carboxymethylamino)-2-(methylamino)pentanoic acid?
The InChIKey is RDXBGMLUNCAAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-9-6(8(13)14)3-2-4-10-5-7(11)12/h6,9-10H,2-5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-(carboxymethylamino)-2-(methylamino)pentanoic acid?
5-(carboxymethylamino)-2-(methylamino)pentanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.89, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethylamino)-2-(methylamino)pentanoic acid is sourced from PubChem (CID 59961578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).