2-(2-propoxyethylamino)pentanoic acid

C10H21NO3 — CID 106454592

IUPAC2-(2-propoxyethylamino)pentanoic acid
SMILESCCCOCCNC(CCC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-5-9(10(12)13)11-6-8-14-7-4-2/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyULWZTSTZDJTGFO-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.26
Rot. Bonds9

About 2-(2-propoxyethylamino)pentanoic acid

2-(2-propoxyethylamino)pentanoic acid (PubChem CID 106454592) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(2-propoxyethylamino)pentanoic acid.

Molecular Properties

Compound Name2-(2-propoxyethylamino)pentanoic acid
PubChem CID106454592
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-(2-propoxyethylamino)pentanoic acid
SMILESCCCOCCNC(CCC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-3-5-9(10(12)13)11-6-8-14-7-4-2/h9,11H,3-8H2,1-2H3,(H,12,13)
InChIKeyULWZTSTZDJTGFO-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-propoxyethylamino)pentanoic 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

2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
2-(2-butoxyethylamino)butanoic acid
CID 64667576
2-(ethylamino)-4-propoxybutanoic acid
CID 63034950
2-(ethylamino)-4-(2-propoxyethoxy)butanoic acid
CID 63685674
4-(3-methylbutoxy)-2-(propylamino)butanoic acid
CID 63039470
2-(2-ethoxyethylamino)butanoic acid
CID 64668941
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311
(2S)-2-[2-(2-methoxyethoxy)ethylamino]pentanedioic acid
CID 175753969
4-(2-propan-2-yloxyethoxy)-2-(propylamino)butanoic acid
CID 55144727
2-[2-[2-[2-(1,2-dicarboxyethylamino)ethoxy]ethoxy]ethylamino]butanedioic acid;hydrochloride
CID 154696995
(2S)-4-acetyloxy-2-(propylamino)butanoic acid
CID 150823529
2-(2-azidoethylamino)pentanoic acid
CID 66191397

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethylamino)pentanoic acid?
The IUPAC name of 2-(2-propoxyethylamino)pentanoic acid (CID 106454592) is 2-(2-propoxyethylamino)pentanoic acid.
What is the SMILES notation for 2-(2-propoxyethylamino)pentanoic acid?
The canonical SMILES for 2-(2-propoxyethylamino)pentanoic acid is CCCOCCNC(CCC)C(=O)O.
What is the InChIKey of 2-(2-propoxyethylamino)pentanoic acid?
The InChIKey is ULWZTSTZDJTGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-5-9(10(12)13)11-6-8-14-7-4-2/h9,11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-propoxyethylamino)pentanoic acid?
2-(2-propoxyethylamino)pentanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethylamino)pentanoic acid is sourced from PubChem (CID 106454592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).