(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

C20H20N2O4 — CID 58055283

IUPAC(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(Nc1cc(Oc2ccc3c(c2)C[C@@H](C(=O)O)CC3)ccn1)C1CC1
InChIInChI=1S/C20H20N2O4/c23-19(13-2-3-13)22-18-11-17(7-8-21-18)26-16-6-5-12-1-4-14(20(24)25)9-15(12)10-16/h5-8,10-11,13-14H,1-4,9H2,(H,24,25)(H,21,22,23)/t14-/m0/s1
InChIKeyQPLPDUNAOYQIOS-AWEZNQCLSA-N
MW352.39 g/mol
LogP3.41
Rot. Bonds5

About (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 58055283) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
PubChem CID58055283
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(Nc1cc(Oc2ccc3c(c2)C[C@@H](C(=O)O)CC3)ccn1)C1CC1
InChIInChI=1S/C20H20N2O4/c23-19(13-2-3-13)22-18-11-17(7-8-21-18)26-16-6-5-12-1-4-14(20(24)25)9-15(12)10-16/h5-8,10-11,13-14H,1-4,9H2,(H,24,25)(H,21,22,23)/t14-/m0/s1
InChIKeyQPLPDUNAOYQIOS-AWEZNQCLSA-N
XLogP3.41
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid (CID 58055283) is (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is O=C(Nc1cc(Oc2ccc3c(c2)C[C@@H](C(=O)O)CC3)ccn1)C1CC1.
What is the InChIKey of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is QPLPDUNAOYQIOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-19(13-2-3-13)22-18-11-17(7-8-21-18)26-16-6-5-12-1-4-14(20(24)25)9-15(12)10-16/h5-8,10-11,13-14H,1-4,9H2,(H,24,25)(H,21,22,23)/t14-/m0/s1.
What are the key properties of (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid?
(2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 352.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 58055283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).