2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid

C13H16N2O4 — CID 136551315

IUPAC2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccncc1)NC(=O)C1CCCO1
InChIInChI=1S/C13H16N2O4/c16-12(11-2-1-7-19-11)15-10(13(17)18)8-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8H2,(H,15,16)(H,17,18)
InChIKeyVMVFUKHRNGXFER-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.37
Rot. Bonds5

About 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid

2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid (PubChem CID 136551315) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
PubChem CID136551315
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)C(Cc1ccncc1)NC(=O)C1CCCO1
InChIInChI=1S/C13H16N2O4/c16-12(11-2-1-7-19-11)15-10(13(17)18)8-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8H2,(H,15,16)(H,17,18)
InChIKeyVMVFUKHRNGXFER-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(oxane-2-carbonylamino)-3-phenylpropanoic acid
CID 62213678
(2S)-3-(4-hydroxyphenyl)-2-(oxane-2-carbonylamino)propanoic acid
CID 62213856
2-[[(2S)-oxolane-2-carbonyl]amino]pentanedioic acid
CID 104855552
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 138005426
(2S)-N-[(2S)-2-[[(2R)-oxolane-2-carbonyl]amino]-3-phenylpropyl]oxolane-2-carboxamide
CID 100849813
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
(2R)-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 95629116
3-(5-bromo-1H-indol-3-yl)-2-(oxolane-2-carbonylamino)propanoic acid
CID 119257948
4-methylsulfanyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855478
(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 124705169
(2R)-3-(1H-indol-3-yl)-2-[[(2S)-oxane-2-carbonyl]amino]propanoic acid
CID 124705255

Frequently Asked Questions

What is the IUPAC name of 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid (CID 136551315) is 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid is O=C(O)C(Cc1ccncc1)NC(=O)C1CCCO1.
What is the InChIKey of 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid?
The InChIKey is VMVFUKHRNGXFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c16-12(11-2-1-7-19-11)15-10(13(17)18)8-9-3-5-14-6-4-9/h3-6,10-11H,1-2,7-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid?
2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid has a molecular weight of 264.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 136551315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).