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

C23H20N2O4 — CID 7023363

IUPAC(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1
InChIInChI=1S/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyIZXATJNDHWFETN-NRFANRHFSA-N
MW388.42 g/mol
LogP4.14
Rot. Bonds6

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

(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid (PubChem CID 7023363) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
PubChem CID7023363
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
SMILESO=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1
InChIInChI=1S/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1
InChIKeyIZXATJNDHWFETN-NRFANRHFSA-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

N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan
CID 100107
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
Fmoc-L-tryptophan
CID 978343
Fmoc-D-Trp-OH
CID 978344
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(pyridin-4-yl)propanoic acid
CID 978322
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 53832785
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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
The IUPAC name of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid (CID 7023363) is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid is O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1cccnc1.
What is the InChIKey of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
The InChIKey is IZXATJNDHWFETN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-22(27)12-21(15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1.
What are the key properties of (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid?
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-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 (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 7023363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).