2-(2-carboxyethylamino)-4-oxopentanoic acid

C8H13NO5 — CID 59927925

IUPAC2-(2-carboxyethylamino)-4-oxopentanoic acid
SMILESCC(=O)CC(NCCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5(10)4-6(8(13)14)9-3-2-7(11)12/h6,9H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyRTEWZDDWFXCKFY-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.52
Rot. Bonds7

About 2-(2-carboxyethylamino)-4-oxopentanoic acid

2-(2-carboxyethylamino)-4-oxopentanoic acid (PubChem CID 59927925) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 2-(2-carboxyethylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name2-(2-carboxyethylamino)-4-oxopentanoic acid
PubChem CID59927925
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name2-(2-carboxyethylamino)-4-oxopentanoic acid
SMILESCC(=O)CC(NCCC(=O)O)C(=O)O
InChIInChI=1S/C8H13NO5/c1-5(10)4-6(8(13)14)9-3-2-7(11)12/h6,9H,2-4H2,1H3,(H,11,12)(H,13,14)
InChIKeyRTEWZDDWFXCKFY-UHFFFAOYSA-N
XLogP-0.52
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(2-carboxyethylamino)-4-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 2-(2-carboxyethylamino)-4-oxopentanoic acid?
The IUPAC name of 2-(2-carboxyethylamino)-4-oxopentanoic acid (CID 59927925) is 2-(2-carboxyethylamino)-4-oxopentanoic acid.
What is the SMILES notation for 2-(2-carboxyethylamino)-4-oxopentanoic acid?
The canonical SMILES for 2-(2-carboxyethylamino)-4-oxopentanoic acid is CC(=O)CC(NCCC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carboxyethylamino)-4-oxopentanoic acid?
The InChIKey is RTEWZDDWFXCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-5(10)4-6(8(13)14)9-3-2-7(11)12/h6,9H,2-4H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(2-carboxyethylamino)-4-oxopentanoic acid?
2-(2-carboxyethylamino)-4-oxopentanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxyethylamino)-4-oxopentanoic acid is sourced from PubChem (CID 59927925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).