2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid

C11H14N2O4 — CID 79457634

IUPAC2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Cc1cccnc1
InChIInChI=1S/C11H14N2O4/c14-10(6-9-2-1-3-12-7-9)13-4-5-17-8-11(15)16/h1-3,7H,4-6,8H2,(H,13,14)(H,15,16)
InChIKeyRPQQRKYNSPSHJP-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.16
Rot. Bonds7

About 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid

2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid (PubChem CID 79457634) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
PubChem CID79457634
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Cc1cccnc1
InChIInChI=1S/C11H14N2O4/c14-10(6-9-2-1-3-12-7-9)13-4-5-17-8-11(15)16/h1-3,7H,4-6,8H2,(H,13,14)(H,15,16)
InChIKeyRPQQRKYNSPSHJP-UHFFFAOYSA-N
XLogP-0.16
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.16
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

N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
2-(2-pyridin-3-ylethoxy)acetic acid
CID 83530002
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
2-[2-[[methyl(pyridin-3-yl)carbamoyl]amino]ethoxy]acetic acid
CID 79464321
CID 66868100
CID 66868100
N-[2-(2,6-dichlorophenoxy)ethyl]-2-pyridin-3-ylacetamide
CID 19871620
N-(2-piperidin-4-yloxyethyl)-2-pyridin-3-ylacetamide
CID 63871778
2-[2-[(3-chloropyridine-4-carbonyl)amino]ethoxy]acetic acid
CID 79456698
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
2-amino-5-[(2-pyridin-3-ylacetyl)amino]pentanoic acid
CID 67328330
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid (CID 79457634) is 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)Cc1cccnc1.
What is the InChIKey of 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid?
The InChIKey is RPQQRKYNSPSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-10(6-9-2-1-3-12-7-9)13-4-5-17-8-11(15)16/h1-3,7H,4-6,8H2,(H,13,14)(H,15,16).
What are the key properties of 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid?
2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid has a molecular weight of 238.24 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).