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

C9H17NO5 — CID 141090456

IUPAC5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)COCCO
InChIInChI=1S/C9H17NO5/c11-5-6-15-7-8(12)10-4-2-1-3-9(13)14/h11H,1-7H2,(H,10,12)(H,13,14)
InChIKeyKAKNENKKZNJXPF-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.63
Rot. Bonds9

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

5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid (PubChem CID 141090456) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
PubChem CID141090456
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)COCCO
InChIInChI=1S/C9H17NO5/c11-5-6-15-7-8(12)10-4-2-1-3-9(13)14/h11H,1-7H2,(H,10,12)(H,13,14)
InChIKeyKAKNENKKZNJXPF-UHFFFAOYSA-N
XLogP-0.63
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.63
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-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
methyl 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoate
CID 23125009
5-[2-[2-[2-[2-[2-[2-(5-hydroxypentylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-5-oxopentanoic acid
CID 155280004
6-[(2-ethoxyacetyl)amino]hexanoic acid
CID 28777004
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
CID 154937129
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
11-[[2-[2-[2-(6-carboxyhexanoylamino)ethoxy]ethoxy]acetyl]amino]undecanoic acid;(Z)-prop-1-en-1-amine
CID 170598132
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid
CID 139387525
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid (CID 141090456) is 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)COCCO.
What is the InChIKey of 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid?
The InChIKey is KAKNENKKZNJXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c11-5-6-15-7-8(12)10-4-2-1-3-9(13)14/h11H,1-7H2,(H,10,12)(H,13,14).
What are the key properties of 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid?
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid has a molecular weight of 219.24 g/mol, XLogP of -0.63, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid is sourced from PubChem (CID 141090456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).