2-[5-hydroxypentyl(propyl)amino]acetic acid

C10H21NO3 — CID 62228100

IUPAC2-[5-hydroxypentyl(propyl)amino]acetic acid
SMILESCCCN(CCCCCO)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-2-6-11(9-10(13)14)7-4-3-5-8-12/h12H,2-9H2,1H3,(H,13,14)
InChIKeyKWBMBDLMZOAYHL-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds9

About 2-[5-hydroxypentyl(propyl)amino]acetic acid

2-[5-hydroxypentyl(propyl)amino]acetic acid (PubChem CID 62228100) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[5-hydroxypentyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxypentyl(propyl)amino]acetic acid
PubChem CID62228100
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[5-hydroxypentyl(propyl)amino]acetic acid
SMILESCCCN(CCCCCO)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-2-6-11(9-10(13)14)7-4-3-5-8-12/h12H,2-9H2,1H3,(H,13,14)
InChIKeyKWBMBDLMZOAYHL-UHFFFAOYSA-N
XLogP0.95
TPSA60.77 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[propyl(undecyl)amino]acetic acid
CID 146831092
2-[di(pentadecyl)amino]acetic acid
CID 101313622
2-[4-hydroxybutyl(2-hydroxyethyl)amino]acetic acid
CID 138080551
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
2-[carboxymethyl(hexyl)amino]acetic acid
CID 23422372
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
6-[carboxymethyl-[2-[2-[carboxymethyl(propyl)amino]ethyl-ethylamino]ethyl]amino]hexanoic acid
CID 162681486
ethyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 62229761
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
2-[3-aminopropyl(propyl)amino]acetic acid
CID 63652854
2-[6-hydroxyhexyl(2-methylpropyl)amino]acetic acid
CID 107704554

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxypentyl(propyl)amino]acetic acid?
The IUPAC name of 2-[5-hydroxypentyl(propyl)amino]acetic acid (CID 62228100) is 2-[5-hydroxypentyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[5-hydroxypentyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[5-hydroxypentyl(propyl)amino]acetic acid is CCCN(CCCCCO)CC(=O)O.
What is the InChIKey of 2-[5-hydroxypentyl(propyl)amino]acetic acid?
The InChIKey is KWBMBDLMZOAYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-6-11(9-10(13)14)7-4-3-5-8-12/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[5-hydroxypentyl(propyl)amino]acetic acid?
2-[5-hydroxypentyl(propyl)amino]acetic acid has a molecular weight of 203.28 g/mol, XLogP of 0.95, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxypentyl(propyl)amino]acetic acid is sourced from PubChem (CID 62228100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).