3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid

C19H20N2O4 — CID 138045892

IUPAC3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1
InChIInChI=1S/C19H20N2O4/c22-17(23)5-4-13-2-1-3-15(12-13)21-19(24)16-8-11-25-18(16)14-6-9-20-10-7-14/h1-3,6-7,9-10,12,16,18H,4-5,8,11H2,(H,21,24)(H,22,23)/t16-,18+/m1/s1
InChIKeyUEPJJQMZHZANBC-AEFFLSMTSA-N
MW340.38 g/mol
LogP2.82
Rot. Bonds6

About 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid

3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid (PubChem CID 138045892) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
PubChem CID138045892
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1
InChIInChI=1S/C19H20N2O4/c22-17(23)5-4-13-2-1-3-15(12-13)21-19(24)16-8-11-25-18(16)14-6-9-20-10-7-14/h1-3,6-7,9-10,12,16,18H,4-5,8,11H2,(H,21,24)(H,22,23)/t16-,18+/m1/s1
InChIKeyUEPJJQMZHZANBC-AEFFLSMTSA-N
XLogP2.82
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-phenyloxane-3-carbonyl)amino]phenyl]propanoic acid
CID 119252582
3-[3-[(4-aminooxolane-3-carbonyl)amino]phenyl]propanoic acid
CID 115339875
3-[3-(bicyclo[3.1.0]hexane-3-carbonylamino)phenyl]propanoic acid
CID 115339348
N-[3-(hydroxymethyl)phenyl]-2-methyloxolane-3-carboxamide
CID 79759466
3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
3-[3-[[4-(oxolan-3-yl)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122094327
3-[3-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340590
3-[3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]phenyl]propanoic acid
CID 115339928
3-[3-[(2-pyridin-3-ylacetyl)amino]phenyl]propanoic acid
CID 115339339
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
3-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]propanoic acid
CID 115339894
3-[3-(3-cyclobutylpropanoylamino)phenyl]propanoic acid
CID 120538120

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid (CID 138045892) is 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid is O=C(O)CCc1cccc(NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)c1.
What is the InChIKey of 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is UEPJJQMZHZANBC-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-17(23)5-4-13-2-1-3-15(12-13)21-19(24)16-8-11-25-18(16)14-6-9-20-10-7-14/h1-3,6-7,9-10,12,16,18H,4-5,8,11H2,(H,21,24)(H,22,23)/t16-,18+/m1/s1.
What are the key properties of 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid?
3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 138045892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).