4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid

C9H18N2O5 — CID 64888561

IUPAC4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCOCCO
InChIInChI=1S/C9H18N2O5/c10-7(1-2-8(13)14)9(15)11-3-5-16-6-4-12/h7,12H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyRCXOBXYZDWWIFK-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.70
Rot. Bonds9

About 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid (PubChem CID 64888561) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
PubChem CID64888561
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCOCCO
InChIInChI=1S/C9H18N2O5/c10-7(1-2-8(13)14)9(15)11-3-5-16-6-4-12/h7,12H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyRCXOBXYZDWWIFK-UHFFFAOYSA-N
XLogP-1.70
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
(2S)-2,5-diamino-N-[2-(2-hydroxyethoxy)ethyl]pentanamide
CID 89199743
2-amino-N-[2-(2-hydroxyethoxy)ethyl]butanamide
CID 61273537
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-5-oxopentanamide
CID 135228994
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxypropanamide
CID 81089376
(2S)-2-[3-[2-[2-[2-[2-[[(2S)-2-amino-4-carboxybutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]pentanedioic acid
CID 87307752
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
3-amino-4-[3-(2-hydroxyethoxy)propylamino]-4-oxobutanoic acid
CID 106310522
2-amino-N-[2-(2-hydroxyethoxy)ethyl]pent-4-ynamide
CID 115563193

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid (CID 64888561) is 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCOCCO.
What is the InChIKey of 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid?
The InChIKey is RCXOBXYZDWWIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c10-7(1-2-8(13)14)9(15)11-3-5-16-6-4-12/h7,12H,1-6,10H2,(H,11,15)(H,13,14).
What are the key properties of 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid has a molecular weight of 234.25 g/mol, XLogP of -1.70, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(2-hydroxyethoxy)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64888561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).