5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid

C9H18N2O4 — CID 79479657

IUPAC5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
SMILESNCCOCC(=O)NCCCCC(=O)O
InChIInChI=1S/C9H18N2O4/c10-4-6-15-7-8(12)11-5-2-1-3-9(13)14/h1-7,10H2,(H,11,12)(H,13,14)
InChIKeyVCZALFJLJYPDDO-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds9

About 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid

5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid (PubChem CID 79479657) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
PubChem CID79479657
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
SMILESNCCOCC(=O)NCCCCC(=O)O
InChIInChI=1S/C9H18N2O4/c10-4-6-15-7-8(12)11-5-2-1-3-9(13)14/h1-7,10H2,(H,11,12)(H,13,14)
InChIKeyVCZALFJLJYPDDO-UHFFFAOYSA-N
XLogP-0.67
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine
CID 171093333
18-[[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 145081788
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
11-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]undecanoic acid;2-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxyacetic acid
CID 171093464
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
11-(3-aminopropanoylamino)undecanoic acid;ethane
CID 170598343
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
11-[[2-[2-[2-(6-carboxyhexanoylamino)ethoxy]ethoxy]acetyl]amino]undecanoic acid;(Z)-prop-1-en-1-amine
CID 170598132
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid (CID 79479657) is 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid is NCCOCC(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid?
The InChIKey is VCZALFJLJYPDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-4-6-15-7-8(12)11-5-2-1-3-9(13)14/h1-7,10H2,(H,11,12)(H,13,14).
What are the key properties of 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid?
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid has a molecular weight of 218.25 g/mol, XLogP of -0.67, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 79479657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).