2-[(6-butoxy-3-pyridinyl)amino]acetic acid

C11H16N2O3 — CID 3028450

IUPAC2-[(6-butoxy-3-pyridinyl)amino]acetic acid
SMILESCCCCOc1ccc(NCC(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-2-3-6-16-10-5-4-9(7-13-10)12-8-11(14)15/h4-5,7,12H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyIKNOESLZKHRJAG-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.76
Rot. Bonds7

About 2-[(6-butoxy-3-pyridinyl)amino]acetic acid

2-[(6-butoxy-3-pyridinyl)amino]acetic acid (PubChem CID 3028450) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(6-butoxy-3-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-butoxy-3-pyridinyl)amino]acetic acid
PubChem CID3028450
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(6-butoxy-3-pyridinyl)amino]acetic acid
SMILESCCCCOc1ccc(NCC(=O)O)cn1
InChIInChI=1S/C11H16N2O3/c1-2-3-6-16-10-5-4-9(7-13-10)12-8-11(14)15/h4-5,7,12H,2-3,6,8H2,1H3,(H,14,15)
InChIKeyIKNOESLZKHRJAG-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-pentoxyanilino)acetic acid
CID 15310380
1-(6-butoxy-3-pyridinyl)-3-methylurea
CID 134123210
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495
2-(4-propoxyanilino)acetic acid
CID 15310375
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
benzyl N-(6-butoxy-3-pyridinyl)carbamate
CID 42691168
(2R)-N-(6-butoxy-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778152
2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 133205914
(2S)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 100778007
(2R)-2-methoxy-2-methyl-N-(6-propoxy-3-pyridinyl)heptanamide
CID 100774890
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
(2R)-2-methoxy-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylhexanamide
CID 100774730

Frequently Asked Questions

What is the IUPAC name of 2-[(6-butoxy-3-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[(6-butoxy-3-pyridinyl)amino]acetic acid (CID 3028450) is 2-[(6-butoxy-3-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-butoxy-3-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[(6-butoxy-3-pyridinyl)amino]acetic acid is CCCCOc1ccc(NCC(=O)O)cn1.
What is the InChIKey of 2-[(6-butoxy-3-pyridinyl)amino]acetic acid?
The InChIKey is IKNOESLZKHRJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-6-16-10-5-4-9(7-13-10)12-8-11(14)15/h4-5,7,12H,2-3,6,8H2,1H3,(H,14,15).
What are the key properties of 2-[(6-butoxy-3-pyridinyl)amino]acetic acid?
2-[(6-butoxy-3-pyridinyl)amino]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-butoxy-3-pyridinyl)amino]acetic acid is sourced from PubChem (CID 3028450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).