3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid

C26H30N2O5 — CID 165461494

IUPAC3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid
SMILESCCC(CCC(=O)NC1CC(C(=O)O)C1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O5/c1-2-17(11-12-24(29)27-18-13-16(14-18)25(30)31)28-26(32)33-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-10,16-18,23H,2,11-15H2,1H3,(H,27,29)(H,28,32)(H,30,31)
InChIKeyXXLCWZUUZZJXIP-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.06
Rot. Bonds9

About 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid

3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid (PubChem CID 165461494) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid
PubChem CID165461494
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid
SMILESCCC(CCC(=O)NC1CC(C(=O)O)C1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H30N2O5/c1-2-17(11-12-24(29)27-18-13-16(14-18)25(30)31)28-26(32)33-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-10,16-18,23H,2,11-15H2,1H3,(H,27,29)(H,28,32)(H,30,31)
InChIKeyXXLCWZUUZZJXIP-UHFFFAOYSA-N
XLogP4.06
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclohexane-1-carboxylic acid
CID 178202782
(1R,5S)-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclohex-3-ene-1-carboxylic acid
CID 178193435
cis-(1R,3S)-3-[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]cyclopentane-1-carboxylic acid
CID 178192418
trans-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 178195647
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
cis-(1R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191934
(3R)-3-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]pentanoic acid
CID 165466286
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 59837877
4-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 178191454
3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 165494887
3-[[5-cyano-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]amino]cyclobutane-1-carboxylic acid
CID 165461251

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid (CID 165461494) is 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid is CCC(CCC(=O)NC1CC(C(=O)O)C1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid?
The InChIKey is XXLCWZUUZZJXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-2-17(11-12-24(29)27-18-13-16(14-18)25(30)31)28-26(32)33-15-23-21-9-5-3-7-19(21)20-8-4-6-10-22(20)23/h3-10,16-18,23H,2,11-15H2,1H3,(H,27,29)(H,28,32)(H,30,31).
What are the key properties of 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid?
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid has a molecular weight of 450.54 g/mol, XLogP of 4.06, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 165461494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).