4-(9H-fluoren-9-ylamino)butanoic acid

C17H17NO2 — CID 60782933

IUPAC4-(9H-fluoren-9-ylamino)butanoic acid
SMILESO=C(O)CCCNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO2/c19-16(20)10-5-11-18-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9,17-18H,5,10-11H2,(H,19,20)
InChIKeyWPAXSIXEFBMVAC-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.21
Rot. Bonds5

About 4-(9H-fluoren-9-ylamino)butanoic acid

4-(9H-fluoren-9-ylamino)butanoic acid (PubChem CID 60782933) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylamino)butanoic acid
PubChem CID60782933
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name4-(9H-fluoren-9-ylamino)butanoic acid
SMILESO=C(O)CCCNC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H17NO2/c19-16(20)10-5-11-18-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9,17-18H,5,10-11H2,(H,19,20)
InChIKeyWPAXSIXEFBMVAC-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(9H-xanthen-9-ylamino)butanoic acid
CID 60782848
7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylamino)heptanoic acid;hydrochloride
CID 44558536
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-4H-isoquinolin-4-yl]amino]pentanoic acid
CID 175555486
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
3-[2-(9H-fluoren-9-ylamino)ethylsulfanyl]propan-1-ol
CID 103950773
4-[[3-(2-methoxyphenyl)cyclobutyl]amino]butanoic acid
CID 60782936
(6R)-6-amino-7-(9H-fluoren-9-ylmethoxy)-7-oxoheptanoic acid
CID 96559700
3-(9H-fluoren-9-yl)-3-oxopropanoic acid
CID 13146062
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
N-(9H-fluoren-9-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
CID 45049608
4-aminobenzoic acid;4-(9H-fluoren-9-yl)butanoic acid
CID 67744441

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylamino)butanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylamino)butanoic acid (CID 60782933) is 4-(9H-fluoren-9-ylamino)butanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylamino)butanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylamino)butanoic acid is O=C(O)CCCNC1c2ccccc2-c2ccccc21.
What is the InChIKey of 4-(9H-fluoren-9-ylamino)butanoic acid?
The InChIKey is WPAXSIXEFBMVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16(20)10-5-11-18-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9,17-18H,5,10-11H2,(H,19,20).
What are the key properties of 4-(9H-fluoren-9-ylamino)butanoic acid?
4-(9H-fluoren-9-ylamino)butanoic acid has a molecular weight of 267.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylamino)butanoic acid is sourced from PubChem (CID 60782933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).