ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate

C27H34N2O5 — CID 175450580

IUPACethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)NC(=O)C(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(C)CC
InChIInChI=1S/C27H34N2O5/c1-6-17(3)23(24(30)29-27(4,5)25(31)33-7-2)28-26(32)34-16-19-12-10-14-21-20-13-9-8-11-18(20)15-22(19)21/h8-14,17,23H,6-7,15-16H2,1-5H3,(H,28,32)(H,29,30)
InChIKeyAUFFVZWNZYAFSK-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.36
Rot. Bonds9

About ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate

ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate (PubChem CID 175450580) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
PubChem CID175450580
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Nameethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)NC(=O)C(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(C)CC
InChIInChI=1S/C27H34N2O5/c1-6-17(3)23(24(30)29-27(4,5)25(31)33-7-2)28-26(32)34-16-19-12-10-14-21-20-13-9-8-11-18(20)15-22(19)21/h8-14,17,23H,6-7,15-16H2,1-5H3,(H,28,32)(H,29,30)
InChIKeyAUFFVZWNZYAFSK-UHFFFAOYSA-N
XLogP4.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

(2R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoic acid
CID 155412566
3-(9H-fluoren-1-ylmethoxycarbonylamino)butanoic acid
CID 174897078
(2,3,4,5,6-pentafluorophenyl) (2S,3R)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-hydroxybutanoate
CID 87881323
(2S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-4-methylpentanoic acid
CID 14767788
(2S,3S)-2-amino-2-(9H-fluoren-1-ylmethoxycarbonyl)-3-methylpentanoic acid
CID 139831866
[(3S,5S)-5-cyano-1-[(2S,3S)-2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]pyrrolidin-3-yl] acetate
CID 69352885
2,6-diaminohexanoic acid;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 174881683
2H-benzotriazol-4-ol;2-(9H-fluoren-1-ylmethoxycarbonylamino)propanoic acid
CID 175252148
tert-butyl (2S,3R)-3-[(3R)-1,4-dioxaspiro[4.4]nonan-3-yl]-2-(9H-fluoren-1-ylmethoxycarbonylamino)butanoate
CID 153347056
9H-fluoren-1-ylmethyl 2-methylprop-2-enoate
CID 66742349
ethyl (2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate
CID 15384115
2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-4-yl]propanoic acid
CID 23506292

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate?
The IUPAC name of ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate (CID 175450580) is ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate is CCOC(=O)C(C)(C)NC(=O)C(NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(C)CC.
What is the InChIKey of ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate?
The InChIKey is AUFFVZWNZYAFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-6-17(3)23(24(30)29-27(4,5)25(31)33-7-2)28-26(32)34-16-19-12-10-14-21-20-13-9-8-11-18(20)15-22(19)21/h8-14,17,23H,6-7,15-16H2,1-5H3,(H,28,32)(H,29,30).
What are the key properties of ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate?
ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate has a molecular weight of 466.58 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(9H-fluoren-1-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 175450580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).