3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid

C19H20N2O3 — CID 138005426

IUPAC3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccncc1)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C19H20N2O3/c22-18(16-7-3-5-14-4-1-2-6-15(14)16)21-17(19(23)24)12-13-8-10-20-11-9-13/h1-2,4,6,8-11,16-17H,3,5,7,12H2,(H,21,22)(H,23,24)
InChIKeyNAFQPGOESPIMTP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.31
Rot. Bonds5

About 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid

3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid (PubChem CID 138005426) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
PubChem CID138005426
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
SMILESO=C(O)C(Cc1ccncc1)NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C19H20N2O3/c22-18(16-7-3-5-14-4-1-2-6-15(14)16)21-17(19(23)24)12-13-8-10-20-11-9-13/h1-2,4,6,8-11,16-17H,3,5,7,12H2,(H,21,22)(H,23,24)
InChIKeyNAFQPGOESPIMTP-UHFFFAOYSA-N
XLogP2.31
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
(2S)-3-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 944231
(2R)-2-phenyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)acetic acid
CID 119367745
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
(2R)-2-(2,3-dihydro-1H-indene-1-carbonylamino)-4-methylpentanoic acid
CID 119364620
2-methyl-3-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid
CID 62674806
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
CID 136551315
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
(E)-2-(2,3-dihydro-1H-indene-1-carbonylamino)hex-4-enoic acid
CID 120692514

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
The IUPAC name of 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid (CID 138005426) is 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid.
What is the SMILES notation for 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
The canonical SMILES for 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid is O=C(O)C(Cc1ccncc1)NC(=O)C1CCCc2ccccc21.
What is the InChIKey of 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
The InChIKey is NAFQPGOESPIMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(16-7-3-5-14-4-1-2-6-15(14)16)21-17(19(23)24)12-13-8-10-20-11-9-13/h1-2,4,6,8-11,16-17H,3,5,7,12H2,(H,21,22)(H,23,24).
What are the key properties of 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid?
3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid has a molecular weight of 324.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)propanoic acid is sourced from PubChem (CID 138005426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).