4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid

C25H24N2O4 — CID 170871538

IUPAC4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(CCC(=O)O)c1cccnc1
InChIInChI=1S/C25H24N2O4/c1-27(23(12-13-24(28)29)17-7-6-14-26-15-17)25(30)31-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,14-15,22-23H,12-13,16H2,1H3,(H,28,29)
InChIKeyDDBOBTBQWHKXBE-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.87
Rot. Bonds7

About 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid

4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid (PubChem CID 170871538) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid
PubChem CID170871538
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid
SMILESCN(C(=O)OCC1c2ccccc2-c2ccccc21)C(CCC(=O)O)c1cccnc1
InChIInChI=1S/C25H24N2O4/c1-27(23(12-13-24(28)29)17-7-6-14-26-15-17)25(30)31-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,14-15,22-23H,12-13,16H2,1H3,(H,28,29)
InChIKeyDDBOBTBQWHKXBE-UHFFFAOYSA-N
XLogP4.87
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-phenylpentanoic acid
CID 177277596
(4R)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 172915965
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-oxo-5-(2-phenylpropan-2-yloxy)pentanoic acid
CID 176636844
4-(dimethylamino)-3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 151522504
(4S)-4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-5-[(3-methoxy-3-oxopropyl)amino]-5-oxopentanoic acid
CID 129031092
2-(3,4-dichlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664247
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl((113C)methyl)(15N)amino]-3-(113C)methyl(1,2,3,4-13C4)butanoic acid
CID 117065495
(2S)-2-[tert-butyl(9H-fluoren-9-ylmethoxycarbonyl)amino]pentanedioic acid
CID 129110739
2-(4-chlorophenyl)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]acetic acid
CID 103664385
9H-fluoren-9-ylmethyl N-amino-N-methylcarbamate
CID 10563828
(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-oxobutanoic acid
CID 122173727
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]heptanoic acid
CID 95565913

Frequently Asked Questions

What is the IUPAC name of 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid (CID 170871538) is 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid is CN(C(=O)OCC1c2ccccc2-c2ccccc21)C(CCC(=O)O)c1cccnc1.
What is the InChIKey of 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid?
The InChIKey is DDBOBTBQWHKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-27(23(12-13-24(28)29)17-7-6-14-26-15-17)25(30)31-16-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h2-11,14-15,22-23H,12-13,16H2,1H3,(H,28,29).
What are the key properties of 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid?
4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid has a molecular weight of 416.48 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 170871538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).