(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one

C129H142N12O19S4 — CID 157255137

IUPAC(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
SMILESCC(CO)(C(=O)OCc1ccccc1)c1ccccc1.NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1ccccn1)[C@@H](CO)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1
InChIInChI=1S/C17H18O3.2C14H16N2O2.2C14H16N2OS.2C14H15NO3.2C14H15NO2S/c1-17(13-18,15-10-6-3-7-11-15)16(19)20-12-14-8-4-2-5-9-14;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(11-6-8-18-10-11)14(17)5-4-12-3-1-2-7-15-12;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h2-11,18H,12-13H2,1H3;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-3,6-8,10,13,16H,4-5,9H2;1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t;12-;13-;12-;13-;12-;13-;12-;13-/m.00011010/s1
InChIKeyAWULVUOMZIMWAI-DGUIIVKTSA-N
MW2292.89 g/mol
LogP20.04
Rot. Bonds53

About (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one

(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one (PubChem CID 157255137) has the molecular formula C129H142N12O19S4 and a molecular weight of 2292.89 g/mol. Its IUPAC name is (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one.

Molecular Properties

Compound Name(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
PubChem CID157255137
Molecular FormulaC129H142N12O19S4
Molecular Weight2292.89 g/mol
Exact Mass2290.94
IUPAC Name(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
SMILESCC(CO)(C(=O)OCc1ccccc1)c1ccccc1.NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1ccccn1)[C@@H](CO)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1
InChIInChI=1S/C17H18O3.2C14H16N2O2.2C14H16N2OS.2C14H15NO3.2C14H15NO2S/c1-17(13-18,15-10-6-3-7-11-15)16(19)20-12-14-8-4-2-5-9-14;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(11-6-8-18-10-11)14(17)5-4-12-3-1-2-7-15-12;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h2-11,18H,12-13H2,1H3;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-3,6-8,10,13,16H,4-5,9H2;1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t;12-;13-;12-;13-;12-;13-;12-;13-/m.00011010/s1
InChIKeyAWULVUOMZIMWAI-DGUIIVKTSA-N
XLogP20.04
TPSA523.77 Ų
H-Bond Donors9
H-Bond Acceptors35
Rotatable Bonds53
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002292.89
LogP ≤ 520.04
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1035

Analyze (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one 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

(2R)-1-amino-2-(4-fluorophenyl)-2-methyl-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;1-hydroxy-2-(2-methylphenyl)-5-phenylpentan-3-one;(2R)-1-hydroxy-5-phenyl-2-pyridin-4-ylpentan-3-one
CID 157120836
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(2-methylpropyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 157448608
4,11-Diazatricyclo[8.4.0.03,7]tetradeca-1(14),3,5,7,9,12-hexaen-2-one;6,11-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one;4-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-one;6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one;4-thia-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),5,8,11,13-hexaen-2-one;6-thia-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one;4,6,11-triazatricyclo[8.4.0.03,7]tetradeca-1(14),3,5,7,9,12-hexaen-2-one
CID 157659807
CID 159023774
CID 159023774
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2-fluorophenyl)methyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
CID 159107110
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-methyl-2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(2-methylpropyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 160952589
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(4-methoxyphenyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-methyl-2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(2-methylpropyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 161113898
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(4-methoxyphenyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-methyl-2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 161172739
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one
CID 161412423
CID 161753417
CID 161753417
CID 161776138
CID 161776138
N,3-dimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide;3-ethyl-2-methyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(furan-2-yl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-(4-methoxyphenyl)-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;3-methyl-2-phenyl-6-pyridin-2-yl-7H-thieno[3,2-c]pyridin-4-one;N,N,3-trimethyl-4-oxo-6-pyridin-2-yl-7H-thieno[3,2-c]pyridine-2-carboxamide
CID 161795835

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
The IUPAC name of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one (CID 157255137) is (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one.
What is the SMILES notation for (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
The canonical SMILES for (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one is CC(CO)(C(=O)OCc1ccccc1)c1ccccc1.NC[C@@H](C(=O)CCc1cccnc1)c1ccco1.NC[C@@H](C(=O)CCc1cccnc1)c1cccs1.NC[C@@H](C(=O)CCc1cccnc1)c1ccsc1.NC[C@H](C(=O)CCc1cccnc1)c1ccoc1.O=C(CCc1ccccn1)[C@@H](CO)c1ccoc1.O=C(CCc1cccnc1)[C@@H](CO)c1ccco1.O=C(CCc1cccnc1)[C@@H](CO)c1cccs1.O=C(CCc1cccnc1)[C@@H](CO)c1ccsc1.
What is the InChIKey of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
The InChIKey is AWULVUOMZIMWAI-DGUIIVKTSA-N. The full InChI is InChI=1S/C17H18O3.2C14H16N2O2.2C14H16N2OS.2C14H15NO3.2C14H15NO2S/c1-17(13-18,15-10-6-3-7-11-15)16(19)20-12-14-8-4-2-5-9-14;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;15-9-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-16-10-11;15-8-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-16-9-11;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(11-6-8-18-10-11)14(17)5-4-12-3-1-2-7-15-12;16-10-12(14-4-2-8-18-14)13(17)6-5-11-3-1-7-15-9-11;16-9-13(12-5-7-18-10-12)14(17)4-3-11-2-1-6-15-8-11/h2-11,18H,12-13H2,1H3;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-8,10,12H,5-6,9,15H2;1-2,5-7,9-10,13H,3-4,8,15H2;1-4,7-9,12,16H,5-6,10H2;1-3,6-8,10,13,16H,4-5,9H2;1-4,7-9,12,16H,5-6,10H2;1-2,5-8,10,13,16H,3-4,9H2/t;12-;13-;12-;13-;12-;13-;12-;13-/m.00011010/s1.
What are the key properties of (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one?
(2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one has a molecular weight of 2292.89 g/mol, XLogP of 20.04, 53 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-2-(furan-2-yl)-5-pyridin-3-ylpentan-3-one;(2R)-1-amino-2-(furan-3-yl)-5-pyridin-3-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2S)-1-amino-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one;benzyl 3-hydroxy-2-methyl-2-phenylpropanoate;(2S)-2-(furan-2-yl)-1-hydroxy-5-pyridin-3-ylpentan-3-one;(2R)-2-(furan-3-yl)-1-hydroxy-5-pyridin-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-2-ylpentan-3-one;(2R)-1-hydroxy-5-pyridin-3-yl-2-thiophen-3-ylpentan-3-one is sourced from PubChem (CID 157255137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).