benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate

C30H32N2O5 — CID 15384394

IUPACbenzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)OCc1ccccc1
InChIInChI=1S/C30H32N2O5/c1-29(2,26(33)31-30(3,4)27(34)36-18-20-12-6-5-7-13-20)32-28(35)37-19-25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h5-17,25H,18-19H2,1-4H3,(H,31,33)(H,32,35)
InChIKeyKQYFRGGXMPEVJJ-UHFFFAOYSA-N
MW500.60 g/mol
LogP4.94
Rot. Bonds8

About benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate

benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate (PubChem CID 15384394) has the molecular formula C30H32N2O5 and a molecular weight of 500.60 g/mol. Its IUPAC name is benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
PubChem CID15384394
Molecular FormulaC30H32N2O5
Molecular Weight500.60 g/mol
Exact Mass500.23
IUPAC Namebenzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate
SMILESCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)OCc1ccccc1
InChIInChI=1S/C30H32N2O5/c1-29(2,26(33)31-30(3,4)27(34)36-18-20-12-6-5-7-13-20)32-28(35)37-19-25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h5-17,25H,18-19H2,1-4H3,(H,31,33)(H,32,35)
InChIKeyKQYFRGGXMPEVJJ-UHFFFAOYSA-N
XLogP4.94
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.60
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 6950285
methyl (2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-3-phenylpropanoate
CID 101161019
tert-butyl 2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate
CID 5256418
(2,3,4,5,6-pentafluorophenyl) 2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoate
CID 56777312
(E)-3-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]phenyl]prop-2-enoic acid
CID 69231916
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 63310465
(2R)-2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 131697971
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
CID 100994235
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
methyl (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methyl-3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-phenylmethoxypropyl]sulfanylpropanoate
CID 154707139
9H-fluoren-9-ylmethyl N-[1-(4-bromo-3-methylanilino)-2-methyl-1-oxopropan-2-yl]carbamate
CID 66827490

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
The IUPAC name of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate (CID 15384394) is benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate.
What is the SMILES notation for benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
The canonical SMILES for benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate is CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(C)(C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
The InChIKey is KQYFRGGXMPEVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5/c1-29(2,26(33)31-30(3,4)27(34)36-18-20-12-6-5-7-13-20)32-28(35)37-19-25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h5-17,25H,18-19H2,1-4H3,(H,31,33)(H,32,35).
What are the key properties of benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate?
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]-2-methylpropanoate has a molecular weight of 500.60 g/mol, XLogP of 4.94, 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)-2-methylpropanoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 15384394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).