methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate

C24H22N2O4 — CID 11292566

IUPACmethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22N2O4/c1-29-23(27)22(14-16-8-6-7-13-25-16)26-24(28)30-15-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyNLLXDRHRFVHRSE-QFIPXVFZSA-N
MW402.45 g/mol
LogP3.70
Rot. Bonds6

About methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate

methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate (PubChem CID 11292566) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate
PubChem CID11292566
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Namemethyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H22N2O4/c1-29-23(27)22(14-16-8-6-7-13-25-16)26-24(28)30-15-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,26,28)/t22-/m0/s1
InChIKeyNLLXDRHRFVHRSE-QFIPXVFZSA-N
XLogP3.70
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-tryptophan
CID 100107
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-1-[(1R)-1-(6-methyl-3-pyridinyl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
CID 56949906
(3R,6R)-6-[(2R)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(6-methyl-3-pyridinyl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
CID 56950043
(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(6-methyl-3-pyridinyl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
CID 56950167
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(6-methyl-3-pyridinyl)-2-morpholin-4-yl-2-oxoethyl]-6-pentan-3-ylpiperazine-2,5-dione
CID 56950588
Fmoc-L-tryptophan
CID 978343
(2S)-3-{1-[(tert-butoxy)carbonyl]-1H-indol-3-yl}-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid
CID 9849766
methyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-3-pyridin-2-ylpropanoate
CID 135331248
(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
Fmoc-D-Trp-OH
CID 978344
3-(Pyridin-2-yl)propyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1)
CID 49642

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate (CID 11292566) is methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate is COC(=O)[C@H](Cc1ccccn1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate?
The InChIKey is NLLXDRHRFVHRSE-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-23(27)22(14-16-8-6-7-13-25-16)26-24(28)30-15-21-19-11-4-2-9-17(19)18-10-3-5-12-20(18)21/h2-13,21-22H,14-15H2,1H3,(H,26,28)/t22-/m0/s1.
What are the key properties of methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate?
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate has a molecular weight of 402.45 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 11292566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).