benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate

C26H24N2O5 — CID 100994235

IUPACbenzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)OCc1ccccc1
InChIInChI=1S/C26H24N2O5/c29-24(27-15-25(30)32-16-18-8-2-1-3-9-18)14-28-26(31)33-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2,(H,27,29)(H,28,31)
InChIKeyRCCCXDHTZYCVMN-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.38
Rot. Bonds8

About benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate

benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate (PubChem CID 100994235) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
PubChem CID100994235
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Namebenzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)OCc1ccccc1
InChIInChI=1S/C26H24N2O5/c29-24(27-15-25(30)32-16-18-8-2-1-3-9-18)14-28-26(31)33-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2,(H,27,29)(H,28,31)
InChIKeyRCCCXDHTZYCVMN-UHFFFAOYSA-N
XLogP3.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxymethyl]phenoxy]propanoic acid
CID 56971426
benzyl (2S)-2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]propanoate
CID 169224942
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 162640819
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
benzyl (2S)-2-[[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]acetyl]amino]propanoate
CID 171782503
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
CID 102122046
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3-phenylpropanoic acid
CID 122686223

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate (CID 100994235) is benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate is O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate?
The InChIKey is RCCCXDHTZYCVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c29-24(27-15-25(30)32-16-18-8-2-1-3-9-18)14-28-26(31)33-17-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,23H,14-17H2,(H,27,29)(H,28,31).
What are the key properties of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate?
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate has a molecular weight of 444.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 100994235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).