2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid

C30H26N2O4 — CID 67243132

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid
SMILESCc1ccccc1-c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1
InChIInChI=1S/C30H26N2O4/c1-19-8-2-3-9-21(19)27-15-14-20(17-31-27)16-28(29(33)34)32-30(35)36-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-15,17,26,28H,16,18H2,1H3,(H,32,35)(H,33,34)
InChIKeyYISOWDUPXKKFAM-UHFFFAOYSA-N
MW478.55 g/mol
LogP5.59
Rot. Bonds7

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid (PubChem CID 67243132) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid
PubChem CID67243132
Molecular FormulaC30H26N2O4
Molecular Weight478.55 g/mol
Exact Mass478.19
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid
SMILESCc1ccccc1-c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1
InChIInChI=1S/C30H26N2O4/c1-19-8-2-3-9-21(19)27-15-14-20(17-31-27)16-28(29(33)34)32-30(35)36-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-15,17,26,28H,16,18H2,1H3,(H,32,35)(H,33,34)
InChIKeyYISOWDUPXKKFAM-UHFFFAOYSA-N
XLogP5.59
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid with MolForge

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Related Compounds

(2S)-3-(6-carbamoyl-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 169024955
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170882018
3-[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67243849
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-methoxy-4-methylphenyl)propanoic acid
CID 172894185
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid
CID 72557481
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propylphenyl)propanoic acid
CID 170881799
(2R)-3-(4-tert-butylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7010381
(2S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170451425
CID 175564084
CID 175564084
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-(4-methylphenoxy)phenyl]propanoic acid
CID 170882315
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-methyl-2-pyridinyl)propanoic acid
CID 178189514
(2S)-3-(2,3-dimethylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 73013289

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid (CID 67243132) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid is Cc1ccccc1-c1ccc(CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid?
The InChIKey is YISOWDUPXKKFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-19-8-2-3-9-21(19)27-15-14-20(17-31-27)16-28(29(33)34)32-30(35)36-18-26-24-12-6-4-10-22(24)23-11-5-7-13-25(23)26/h2-15,17,26,28H,16,18H2,1H3,(H,32,35)(H,33,34).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid has a molecular weight of 478.55 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 67243132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).