3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid

C26H28N2O5 — CID 165494887

IUPAC3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1)NC1CC(C(=O)O)C1
InChIInChI=1S/C26H28N2O5/c29-23(27-17-12-16(13-17)24(30)31)14-26(10-5-11-26)28-25(32)33-15-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,16-17,22H,5,10-15H2,(H,27,29)(H,28,32)(H,30,31)
InChIKeyROHNRKGDXKGOPZ-UHFFFAOYSA-N
MW448.52 g/mol
LogP3.82
Rot. Bonds7

About 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid

3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 165494887) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID165494887
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1)NC1CC(C(=O)O)C1
InChIInChI=1S/C26H28N2O5/c29-23(27-17-12-16(13-17)24(30)31)14-26(10-5-11-26)28-25(32)33-15-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,16-17,22H,5,10-15H2,(H,27,29)(H,28,32)(H,30,31)
InChIKeyROHNRKGDXKGOPZ-UHFFFAOYSA-N
XLogP3.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1S,2R)-2-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178196733
2-[4-(9H-fluoren-9-ylmethoxycarbonylamino)thian-4-yl]acetic acid
CID 17040197
3-[4-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoylamino]cyclobutane-1-carboxylic acid
CID 165461494
cis-(1S,3R)-3-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 178193480
(1R,3S,4S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-hydroxycyclopentane-1-carboxylic acid
CID 11624815
(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 165447074
4-[[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropyl]acetyl]amino]methyl]oxane-4-carboxylic acid
CID 165446570
3-aminocyclohexane-1-carboxylic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 70071243
1-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]amino]cyclobutane-1-carboxylic acid
CID 178191271
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178190848
9H-fluoren-9-ylmethyl N-[3-(hydroxymethyl)oxolan-3-yl]carbamate
CID 130950344
5-(9H-fluoren-9-ylmethoxycarbonyl)-5-azaspiro[3.4]octane-7-carboxylic acid
CID 138991406

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid (CID 165494887) is 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid is O=C(CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC1)NC1CC(C(=O)O)C1.
What is the InChIKey of 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is ROHNRKGDXKGOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O5/c29-23(27-17-12-16(13-17)24(30)31)14-26(10-5-11-26)28-25(32)33-15-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h1-4,6-9,16-17,22H,5,10-15H2,(H,27,29)(H,28,32)(H,30,31).
What are the key properties of 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid?
3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 448.52 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutyl]acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 165494887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).