2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid

C12H17N3O4 — CID 107340978

IUPAC2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid
SMILESCOCCNCC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H17N3O4/c1-19-5-4-13-8-11(16)15-10-3-2-9(14-7-10)6-12(17)18/h2-3,7,13H,4-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFRMOWGRNASUFNI-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.12
Rot. Bonds8

About 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid

2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107340978) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid
PubChem CID107340978
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid
SMILESCOCCNCC(=O)Nc1ccc(CC(=O)O)nc1
InChIInChI=1S/C12H17N3O4/c1-19-5-4-13-8-11(16)15-10-3-2-9(14-7-10)6-12(17)18/h2-3,7,13H,4-6,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyFRMOWGRNASUFNI-UHFFFAOYSA-N
XLogP-0.12
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-anilino-3-pyridinyl)-2-(2-methoxyethylamino)acetamide
CID 119870649
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
CID 119854984
2-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-(ethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107339556
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119849115
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
2-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenoxy]acetic acid
CID 79282011
2-[5-(2-methoxypropanoylamino)-2-pyridinyl]acetic acid
CID 107339238
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid (CID 107340978) is 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid is COCCNCC(=O)Nc1ccc(CC(=O)O)nc1.
What is the InChIKey of 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is FRMOWGRNASUFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-19-5-4-13-8-11(16)15-10-3-2-9(14-7-10)6-12(17)18/h2-3,7,13H,4-6,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 267.28 g/mol, XLogP of -0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(2-methoxyethylamino)acetyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).