methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate

C23H24N2O6 — CID 167321881

IUPACmethyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
SMILESCOC(=O)[C@H](CCC(=O)NC(C)=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24N2O6/c1-14(26)24-21(27)12-11-20(22(28)30-2)25-23(29)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-13H2,1-2H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChIKeyVBZKLJOHEWEOLZ-FQEVSTJZSA-N
MW424.45 g/mol
LogP2.51
Rot. Bonds7

About methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate

methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate (PubChem CID 167321881) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
PubChem CID167321881
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Namemethyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate
SMILESCOC(=O)[C@H](CCC(=O)NC(C)=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24N2O6/c1-14(26)24-21(27)12-11-20(22(28)30-2)25-23(29)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-13H2,1-2H3,(H,25,29)(H,24,26,27)/t20-/m0/s1
InChIKeyVBZKLJOHEWEOLZ-FQEVSTJZSA-N
XLogP2.51
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate with MolForge

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Related Compounds

methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoate
CID 66893735
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-iodobutanoate
CID 91667085
9H-fluoren-9-ylmethyl N-[6-(2,6-dioxoheptan-3-ylamino)-2,6-dioxohexan-3-yl]carbamate
CID 165091322
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoropropanoate
CID 134850345
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-(hydroxyamino)hexanoate
CID 138961408
methyl (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 75487884
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-(2-fluoro-5-hydroxyanilino)-5-oxopentanoate
CID 170254213
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 59063219
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[1-(1-methoxyethoxy)ethoxy]-5-oxopentanoic acid
CID 67935182
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
CID 10569941
5-anilino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
CID 85181857
(4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 67333230

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
The IUPAC name of methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate (CID 167321881) is methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate.
What is the SMILES notation for methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
The canonical SMILES for methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate is COC(=O)[C@H](CCC(=O)NC(C)=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
The InChIKey is VBZKLJOHEWEOLZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-14(26)24-21(27)12-11-20(22(28)30-2)25-23(29)31-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,19-20H,11-13H2,1-2H3,(H,25,29)(H,24,26,27)/t20-/m0/s1.
What are the key properties of methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate?
methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate has a molecular weight of 424.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-5-acetamido-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoate is sourced from PubChem (CID 167321881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).