2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid

C27H27N3O5 — CID 170882100

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid
SMILESO=C(NC(Cc1ccc(N2CCOCC2)nc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27N3O5/c31-26(32)24(15-18-9-10-25(28-16-18)30-11-13-34-14-12-30)29-27(33)35-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,16,23-24H,11-15,17H2,(H,29,33)(H,31,32)
InChIKeySIPDCCWACWRJIG-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.45
Rot. Bonds7

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid (PubChem CID 170882100) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid
PubChem CID170882100
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid
SMILESO=C(NC(Cc1ccc(N2CCOCC2)nc1)C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H27N3O5/c31-26(32)24(15-18-9-10-25(28-16-18)30-11-13-34-14-12-30)29-27(33)35-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,16,23-24H,11-15,17H2,(H,29,33)(H,31,32)
InChIKeySIPDCCWACWRJIG-UHFFFAOYSA-N
XLogP3.45
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170451425
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-morpholin-4-ylphenyl)propanoic acid
CID 163207445
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 170881985
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(6-morpholin-4-ylpyridine-3-carbonyl)amino]hexanoic acid
CID 175464467
(2S)-3-(6-carbamoyl-3-pyridinyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 169024955
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(2-methylphenyl)-3-pyridinyl]propanoic acid
CID 67243132
3-(3-ethyl-5-methyl-4-morpholin-4-ylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882897
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170882018
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(5-fluoro-2-morpholin-4-ylphenyl)propanoic acid
CID 170883114
(2S)-3-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170451437
3-(2-chloro-3-methyl-4-morpholin-4-ylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882898
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-phenyldiazenylphenyl)propanoic acid
CID 15838972

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid (CID 170882100) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid is O=C(NC(Cc1ccc(N2CCOCC2)nc1)C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid?
The InChIKey is SIPDCCWACWRJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c31-26(32)24(15-18-9-10-25(28-16-18)30-11-13-34-14-12-30)29-27(33)35-17-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-10,16,23-24H,11-15,17H2,(H,29,33)(H,31,32).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid has a molecular weight of 473.53 g/mol, XLogP of 3.45, 7 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)-3-(6-morpholin-4-yl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 170882100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).