2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid

C23H20N2O5 — CID 104985032

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1
InChIInChI=1S/C23H20N2O5/c1-29-20-11-10-14(12-24-20)21(22(26)27)25-23(28)30-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19,21H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyVFGJSAOLEZSGJM-UHFFFAOYSA-N
MW404.42 g/mol
LogP3.75
Rot. Bonds6

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid (PubChem CID 104985032) has the molecular formula C23H20N2O5 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid
PubChem CID104985032
Molecular FormulaC23H20N2O5
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid
SMILESCOc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1
InChIInChI=1S/C23H20N2O5/c1-29-20-11-10-14(12-24-20)21(22(26)27)25-23(28)30-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19,21H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyVFGJSAOLEZSGJM-UHFFFAOYSA-N
XLogP3.75
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 24729690
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 103690241
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[4-(2-methylpropyl)phenyl]acetic acid
CID 103747678
2-[3-(difluoromethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103841374
2-(3-bromo-5-methylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 165439898
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methoxyphenyl)butanoic acid
CID 175653890
(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-3-methoxypropanoic acid
CID 165448330
(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-(4-methoxyphenyl)propanoic acid
CID 2762365
2-(5-bromo-2-methoxyphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
CID 103663924
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid (CID 104985032) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid is COc1ccc(C(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cn1.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid?
The InChIKey is VFGJSAOLEZSGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5/c1-29-20-11-10-14(12-24-20)21(22(26)27)25-23(28)30-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19,21H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid has a molecular weight of 404.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(6-methoxy-3-pyridinyl)acetic acid is sourced from PubChem (CID 104985032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).