2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid

C7H12N2O5 — CID 14284576

IUPAC2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid
SMILESCC(NC(=O)CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyARSVRKCVNFIICJ-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.62
Rot. Bonds5

About 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid

2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid (PubChem CID 14284576) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid
PubChem CID14284576
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid
SMILESCC(NC(=O)CC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14)
InChIKeyARSVRKCVNFIICJ-UHFFFAOYSA-N
XLogP-1.62
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic 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-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid (CID 14284576) is 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid is CC(NC(=O)CC(N)C(=O)O)C(=O)O.
What is the InChIKey of 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid?
The InChIKey is ARSVRKCVNFIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-3(6(11)12)9-5(10)2-4(8)7(13)14/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)(H,13,14).
What are the key properties of 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid?
2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid has a molecular weight of 204.18 g/mol, XLogP of -1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-carboxyethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 14284576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).