2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid

C26H24N2O5 — CID 102122046

IUPAC2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O5/c29-24(27-14-18-8-2-1-7-17(18)13-25(30)31)15-28-26(32)33-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,29)(H,28,32)(H,30,31)
InChIKeyMOMBDCAKXDSHDK-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.47
Rot. Bonds8

About 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid

2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid (PubChem CID 102122046) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
PubChem CID102122046
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H24N2O5/c29-24(27-14-18-8-2-1-7-17(18)13-25(30)31)15-28-26(32)33-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,29)(H,28,32)(H,30,31)
InChIKeyMOMBDCAKXDSHDK-UHFFFAOYSA-N
XLogP3.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid with MolForge

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Related Compounds

4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
CID 100994235
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
3-(butanoylamino)propanoic acid;2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 161068795
5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 165465829
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
4-(1-carboxyethylamino)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-4-oxobutanoic acid
CID 22078231
2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]acetic acid
CID 162720748
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid (CID 102122046) is 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid?
The InChIKey is MOMBDCAKXDSHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c29-24(27-14-18-8-2-1-7-17(18)13-25(30)31)15-28-26(32)33-16-23-21-11-5-3-9-19(21)20-10-4-6-12-22(20)23/h1-12,23H,13-16H2,(H,27,29)(H,28,32)(H,30,31).
What are the key properties of 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid?
2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid has a molecular weight of 444.49 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 102122046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).