2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid

C23H25NO5 — CID 59806874

IUPAC2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
SMILESCCC(=O)N(CCCC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C23H25NO5/c1-2-21(25)24(14-22(26)27)13-7-12-23(28)29-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20H,2,7,12-15H2,1H3,(H,26,27)
InChIKeyUUGSITFPAYZXDR-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.45
Rot. Bonds9

About 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid

2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid (PubChem CID 59806874) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
PubChem CID59806874
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid
SMILESCCC(=O)N(CCCC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O
InChIInChI=1S/C23H25NO5/c1-2-21(25)24(14-22(26)27)13-7-12-23(28)29-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20H,2,7,12-15H2,1H3,(H,26,27)
InChIKeyUUGSITFPAYZXDR-UHFFFAOYSA-N
XLogP3.45
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 4-[2-oxopentyl(3-phenylpropanoyl)amino]butanoate
CID 159174762
2-[9H-fluoren-9-ylmethoxycarbonyl-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]acetic acid
CID 10836802
2-[9H-fluoren-9-ylmethoxycarbonyl(pentyl)amino]acetic acid
CID 125449008
22-(9H-fluoren-9-ylmethoxy)-8,15,22-trioxodocosanoic acid
CID 149410071
2-[ethoxy(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 176719721
7-O-amino 1-O-(9H-fluoren-9-ylmethyl) heptanedioate
CID 175239648
9H-fluoren-9-ylmethyl N-phenyl-N-propanoylcarbamate
CID 54097976
2-[5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetic acid
CID 177475678
2-[3-(difluoromethoxy)propyl-(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 172529362
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl]amino]acetic acid
CID 118650117
6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoic acid;3-[[6-(9H-fluoren-9-ylmethoxy)-6-oxohexanoyl]-methylamino]propanoic acid;9H-fluoren-9-ylmethyl 6-[methyl-(3-oxo-3-trimethylsilyloxypropyl)amino]-6-oxohexanoate
CID 165070861
9H-fluoren-9-ylmethyl 7-methyloctanoate
CID 167509149

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid?
The IUPAC name of 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid (CID 59806874) is 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid.
What is the SMILES notation for 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid?
The canonical SMILES for 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid is CCC(=O)N(CCCC(=O)OCC1c2ccccc2-c2ccccc21)CC(=O)O.
What is the InChIKey of 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid?
The InChIKey is UUGSITFPAYZXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-2-21(25)24(14-22(26)27)13-7-12-23(28)29-15-20-18-10-5-3-8-16(18)17-9-4-6-11-19(17)20/h3-6,8-11,20H,2,7,12-15H2,1H3,(H,26,27).
What are the key properties of 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid?
2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid has a molecular weight of 395.46 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(9H-fluoren-9-ylmethoxy)-4-oxobutyl]-propanoylamino]acetic acid is sourced from PubChem (CID 59806874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).