1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid

C23H24N2O5 — CID 165494853

IUPAC1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid
SMILESO=C(NCCCC(=O)N1CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24N2O5/c26-21(25-12-15(13-25)22(27)28)10-5-11-24-23(29)30-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20H,5,10-14H2,(H,24,29)(H,27,28)
InChIKeyCUDHEEFLFALZMS-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.85
Rot. Bonds7

About 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid

1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid (PubChem CID 165494853) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid
PubChem CID165494853
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid
SMILESO=C(NCCCC(=O)N1CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24N2O5/c26-21(25-12-15(13-25)22(27)28)10-5-11-24-23(29)30-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20H,5,10-14H2,(H,24,29)(H,27,28)
InChIKeyCUDHEEFLFALZMS-UHFFFAOYSA-N
XLogP2.85
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 165468106
1-[6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 165479233
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)propyl]pentanoic acid
CID 156889446
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
(2R,4R)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178193658
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
ethyl 5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate
CID 157220460
1-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 165478066
6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 21043295

Frequently Asked Questions

What is the IUPAC name of 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid (CID 165494853) is 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid is O=C(NCCCC(=O)N1CC(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid?
The InChIKey is CUDHEEFLFALZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c26-21(25-12-15(13-25)22(27)28)10-5-11-24-23(29)30-14-20-18-8-3-1-6-16(18)17-7-2-4-9-19(17)20/h1-4,6-9,15,20H,5,10-14H2,(H,24,29)(H,27,28).
What are the key properties of 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid?
1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid has a molecular weight of 408.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 165494853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).