2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid

C9H19N3O4 — CID 103263247

IUPAC2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
SMILESCOCCNC(=O)CCNCC(N)C(=O)O
InChIInChI=1S/C9H19N3O4/c1-16-5-4-12-8(13)2-3-11-6-7(10)9(14)15/h7,11H,2-6,10H2,1H3,(H,12,13)(H,14,15)
InChIKeyBENGZKHFZWOSKJ-UHFFFAOYSA-N
MW233.27 g/mol
LogP-1.86
Rot. Bonds9

About 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid

2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid (PubChem CID 103263247) has the molecular formula C9H19N3O4 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
PubChem CID103263247
Molecular FormulaC9H19N3O4
Molecular Weight233.27 g/mol
Exact Mass233.14
IUPAC Name2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid
SMILESCOCCNC(=O)CCNCC(N)C(=O)O
InChIInChI=1S/C9H19N3O4/c1-16-5-4-12-8(13)2-3-11-6-7(10)9(14)15/h7,11H,2-6,10H2,1H3,(H,12,13)(H,14,15)
InChIKeyBENGZKHFZWOSKJ-UHFFFAOYSA-N
XLogP-1.86
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
CID 87289464
N-(2-methoxyethyl)-3-[[3-oxo-3-(propan-2-ylamino)propyl]amino]propanamide
CID 113410009
2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-methylbutanamide
CID 112700885
3-[(2-cyano-3,3,3-trifluoropropyl)amino]-N-(2-methoxyethyl)propanamide
CID 103367520
2-amino-3-[(3-ethoxy-3-oxopropyl)amino]propanoic acid
CID 103245375
N-(2-methoxyethyl)-3-(methylamino)propanamide
CID 43827811
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-[[3-(2-methoxyethylamino)-3-oxopropyl]carbamoyl]-3,3-dimethylbutanoic acid
CID 116537456
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
2-methoxy-N-[3-(2-methoxyethylamino)-3-oxopropyl]propanamide
CID 112686354
2-amino-N-(2-methoxyethyl)propanamide
CID 24703832

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid?
The IUPAC name of 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid (CID 103263247) is 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid.
What is the SMILES notation for 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid?
The canonical SMILES for 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid is COCCNC(=O)CCNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid?
The InChIKey is BENGZKHFZWOSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O4/c1-16-5-4-12-8(13)2-3-11-6-7(10)9(14)15/h7,11H,2-6,10H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid?
2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of -1.86, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propanoic acid is sourced from PubChem (CID 103263247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).