2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid

C18H19N3O4 — CID 69456193

IUPAC2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
SMILESO=C(O)N(CCn1ccc2c(O)cccc21)C[C@@H](O)c1cccnc1
InChIInChI=1S/C18H19N3O4/c22-16-5-1-4-15-14(16)6-8-20(15)9-10-21(18(24)25)12-17(23)13-3-2-7-19-11-13/h1-8,11,17,22-23H,9-10,12H2,(H,24,25)/t17-/m1/s1
InChIKeyZYYSLIHTHFXOGX-QGZVFWFLSA-N
MW341.37 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid

2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid (PubChem CID 69456193) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid.

Molecular Properties

Compound Name2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
PubChem CID69456193
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
SMILESO=C(O)N(CCn1ccc2c(O)cccc21)C[C@@H](O)c1cccnc1
InChIInChI=1S/C18H19N3O4/c22-16-5-1-4-15-14(16)6-8-20(15)9-10-21(18(24)25)12-17(23)13-3-2-7-19-11-13/h1-8,11,17,22-23H,9-10,12H2,(H,24,25)/t17-/m1/s1
InChIKeyZYYSLIHTHFXOGX-QGZVFWFLSA-N
XLogP2.46
TPSA98.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
CID 86604036
2-(4-bromophenyl)ethyl-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102888
3-[(2-hydroxy-2-pyridin-3-ylethyl)-methylamino]propanoic acid
CID 82216497
3-hydroxy-1-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-methylpyridin-4-one
CID 170560087
2-(dipropylamino)-1-pyridin-3-ylethanol
CID 82216469
1-[2-(3,3-diphenylpropoxy)ethyl]indol-4-ol
CID 18351861
2-(dibutylamino)-1-pyridin-3-ylethanol
CID 82216499
(2-hydroxy-2-pyridin-3-ylethyl)carbamic acid
CID 21105805
4-fluoro-1-(2-pyridin-3-ylethyl)indole
CID 82794108
5,6-dichloro-N-(2-hydroxy-2-pyridin-3-ylethyl)-N-propyl-1,3-dihydroisoindole-2-carboxamide
CID 170307810
(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-[4-[3-cyclohexyloxy-4-[2-(methanesulfonamido)-2-oxoethyl]phenyl]phenyl]ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid
CID 69102925

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
The IUPAC name of 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid (CID 69456193) is 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid.
What is the SMILES notation for 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
The canonical SMILES for 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid is O=C(O)N(CCn1ccc2c(O)cccc21)C[C@@H](O)c1cccnc1.
What is the InChIKey of 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
The InChIKey is ZYYSLIHTHFXOGX-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-16-5-1-4-15-14(16)6-8-20(15)9-10-21(18(24)25)12-17(23)13-3-2-7-19-11-13/h1-8,11,17,22-23H,9-10,12H2,(H,24,25)/t17-/m1/s1.
What are the key properties of 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid?
2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid has a molecular weight of 341.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyindol-1-yl)ethyl-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]carbamic acid is sourced from PubChem (CID 69456193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).