2-[2-(5-aminopentanoylamino)ethoxy]acetic acid

C9H18N2O4 — CID 79457859

IUPAC2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
SMILESNCCCCC(=O)NCCOCC(=O)O
InChIInChI=1S/C9H18N2O4/c10-4-2-1-3-8(12)11-5-6-15-7-9(13)14/h1-7,10H2,(H,11,12)(H,13,14)
InChIKeyCKEAXDBWCYMUPN-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.67
Rot. Bonds9

About 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid

2-[2-(5-aminopentanoylamino)ethoxy]acetic acid (PubChem CID 79457859) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
PubChem CID79457859
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
SMILESNCCCCC(=O)NCCOCC(=O)O
InChIInChI=1S/C9H18N2O4/c10-4-2-1-3-8(12)11-5-6-15-7-9(13)14/h1-7,10H2,(H,11,12)(H,13,14)
InChIKeyCKEAXDBWCYMUPN-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

6-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]hexanamide
CID 106236522
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
16-amino-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]hexadecanamide;ethane
CID 145370854
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
7-amino-N-(2-but-3-enoxyethyl)heptanamide
CID 114183717
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
20-[2-[2-(methylamino)-2-oxoethoxy]ethylamino]-20-oxoicosanoic acid
CID 154937129
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid (CID 79457859) is 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid is NCCCCC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid?
The InChIKey is CKEAXDBWCYMUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c10-4-2-1-3-8(12)11-5-6-15-7-9(13)14/h1-7,10H2,(H,11,12)(H,13,14).
What are the key properties of 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid?
2-[2-(5-aminopentanoylamino)ethoxy]acetic 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 2-[2-(5-aminopentanoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79457859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).