3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid

C25H28N2O5 — CID 165478912

IUPAC3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C25H28N2O5/c1-25(2,13-22(28)29)27-23(30)15-11-16(12-15)26-24(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyHLJPCJZDAISJJC-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.67
Rot. Bonds7

About 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid

3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid (PubChem CID 165478912) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid
PubChem CID165478912
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid
SMILESCC(C)(CC(=O)O)NC(=O)C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C25H28N2O5/c1-25(2,13-22(28)29)27-23(30)15-11-16(12-15)26-24(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29)
InChIKeyHLJPCJZDAISJJC-UHFFFAOYSA-N
XLogP3.67
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid with MolForge

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Related Compounds

3-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]-3-methylbutanoic acid
CID 178202829
2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-4-methoxy-4-methylpentanoic acid
CID 165461257
3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoic acid
CID 165483758
(3R)-3-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]butanoic acid
CID 178192127
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
4-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 178193153
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
CID 86643648
(2S)-2-[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 178195460
3-[[[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]methyl]pentanoic acid
CID 178193936
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-5,5-dimethylhexanoic acid
CID 163358524
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid (CID 165478912) is 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid is CC(C)(CC(=O)O)NC(=O)C1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid?
The InChIKey is HLJPCJZDAISJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-25(2,13-22(28)29)27-23(30)15-11-16(12-15)26-24(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21H,11-14H2,1-2H3,(H,26,31)(H,27,30)(H,28,29).
What are the key properties of 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid?
3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid has a molecular weight of 436.51 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 165478912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).