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

C13H16N2O4 — CID 107339211

IUPAC2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CC2CCCO2)cn1
InChIInChI=1S/C13H16N2O4/c16-12(7-11-2-1-5-19-11)15-10-4-3-9(14-8-10)6-13(17)18/h3-4,8,11H,1-2,5-7H2,(H,15,16)(H,17,18)
InChIKeyFJQFTPYARPAYKE-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.22
Rot. Bonds5

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

2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107339211) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
PubChem CID107339211
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)CC2CCCO2)cn1
InChIInChI=1S/C13H16N2O4/c16-12(7-11-2-1-5-19-11)15-10-4-3-9(14-8-10)6-13(17)18/h3-4,8,11H,1-2,5-7H2,(H,15,16)(H,17,18)
InChIKeyFJQFTPYARPAYKE-UHFFFAOYSA-N
XLogP1.22
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
N-(6-bromo-3-pyridinyl)-2-(oxan-2-yl)acetamide
CID 110614780
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
2-[5-[[2-(3-ethoxycyclobutyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338759
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 129403217
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
2-[(2S)-oxolan-2-yl]-N-(4-oxo-3H-quinazolin-6-yl)acetamide
CID 136827778
2-(oxolan-2-yl)-N-pyridin-2-ylacetamide
CID 110696665
2-[5-[(4-hydroxycyclohexyl)carbamoylamino]-2-pyridinyl]acetic acid
CID 107340431
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid (CID 107339211) is 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid is O=C(O)Cc1ccc(NC(=O)CC2CCCO2)cn1.
What is the InChIKey of 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is FJQFTPYARPAYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(7-11-2-1-5-19-11)15-10-4-3-9(14-8-10)6-13(17)18/h3-4,8,11H,1-2,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(oxolan-2-yl)acetyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107339211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).