3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid

C23H20N2O4 — CID 24902263

IUPAC3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1
InChIInChI=1S/C23H20N2O4/c26-22(27)13-21(15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)
InChIKeyZWVPLGLFWZWAMY-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.14
Rot. Bonds6

About 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid (PubChem CID 24902263) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
PubChem CID24902263
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1
InChIInChI=1S/C23H20N2O4/c26-22(27)13-21(15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27)
InChIKeyZWVPLGLFWZWAMY-UHFFFAOYSA-N
XLogP4.14
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(pyridin-4-ylmethyl)hexan-2-yl]carbamate
CID 44333422
[(1S,2S,4R)-1-Benzyl-2-hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-4-yl-pentyl]-carbamic acid tert-butyl ester
CID 44337834
tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-6-oxo-1-phenyl-5-(pyridin-4-ylmethyl)hexan-2-yl]carbamate
CID 44359101
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-4-yl)propanoic acid
CID 978322
2-(Pyridin-4-yl)ethyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
CID 49640
3-(Pyridin-2-yl)propyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
CID 49642
3-(Pyridin-4-yl)propyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
CID 49644
Fmoc-D-4-Pyridylalanine
CID 978323
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-3-yl)propanoic acid
CID 2734472
(R)-Fmoc-4-amino-5-(1h-indol-3-yl)-pentanoic acid
CID 2756075
2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-4-yl)propanoic acid
CID 3882867
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid
CID 6957974

Frequently Asked Questions

What is the IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid (CID 24902263) is 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid is O=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccncc1.
What is the InChIKey of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
The InChIKey is ZWVPLGLFWZWAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(27)13-21(15-9-11-24-12-10-15)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-12,20-21H,13-14H2,(H,25,28)(H,26,27).
What are the key properties of 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid?
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid has a molecular weight of 388.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 24902263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).