2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid

C23H22N4O4 — CID 165443784

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCn2ncnc2C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H22N4O4/c28-22(29)21(14-9-10-27-20(11-14)24-13-25-27)26-23(30)31-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,21H,9-12H2,(H,26,30)(H,28,29)
InChIKeyWXGDFVGTQURYJN-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.83
Rot. Bonds5

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid (PubChem CID 165443784) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
PubChem CID165443784
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCn2ncnc2C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H22N4O4/c28-22(29)21(14-9-10-27-20(11-14)24-13-25-27)26-23(30)31-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,21H,9-12H2,(H,26,30)(H,28,29)
InChIKeyWXGDFVGTQURYJN-UHFFFAOYSA-N
XLogP2.83
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid with MolForge

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Related Compounds

(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 7146280
(2S)-2-(1-acetylpiperidin-4-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 154706549
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(oxetan-3-yl)acetic acid
CID 171934882
(2S)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 51358311
(2S)-2-(3,3-difluorocyclopentyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 163275676
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2R)-4-methyl-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 170898583
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(1S,3R)-3-hydroxycyclohexyl]acetic acid
CID 155270883
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 103692631
(2R,3S)-3-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid
CID 177277763
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
(3S)-4-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
CID 171703009
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-pyrazol-1-ylacetic acid
CID 122173745

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid (CID 165443784) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid is O=C(NC(C(=O)O)C1CCn2ncnc2C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
The InChIKey is WXGDFVGTQURYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c28-22(29)21(14-9-10-27-20(11-14)24-13-25-27)26-23(30)31-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,13-14,19,21H,9-12H2,(H,26,30)(H,28,29).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid has a molecular weight of 418.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetic acid is sourced from PubChem (CID 165443784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).