(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid

C13H16N2O5 — CID 120525990

IUPAC(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccnc(OC2CCOC2)c1)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-8(13(17)18)15-12(16)9-2-4-14-11(6-9)20-10-3-5-19-7-10/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)/t8-,10?/m0/s1
InChIKeyQLPMRGWGHDZWFA-PEHGTWAWSA-N
MW280.28 g/mol
LogP0.45
Rot. Bonds5

About (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid

(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid (PubChem CID 120525990) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
PubChem CID120525990
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
SMILESC[C@H](NC(=O)c1ccnc(OC2CCOC2)c1)C(=O)O
InChIInChI=1S/C13H16N2O5/c1-8(13(17)18)15-12(16)9-2-4-14-11(6-9)20-10-3-5-19-7-10/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)/t8-,10?/m0/s1
InChIKeyQLPMRGWGHDZWFA-PEHGTWAWSA-N
XLogP0.45
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
4-[(2-methylpropan-2-yl)oxy]-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120533755
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126802462
2-[(3S)-oxolan-3-yl]oxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 124616240
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
(2S)-2-[(2-cyclobutyloxypyridine-4-carbonyl)amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129467997
2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75504546

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid (CID 120525990) is (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid is C[C@H](NC(=O)c1ccnc(OC2CCOC2)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid?
The InChIKey is QLPMRGWGHDZWFA-PEHGTWAWSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8(13(17)18)15-12(16)9-2-4-14-11(6-9)20-10-3-5-19-7-10/h2,4,6,8,10H,3,5,7H2,1H3,(H,15,16)(H,17,18)/t8-,10?/m0/s1.
What are the key properties of (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid?
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120525990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).