methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate

C24H30N2O4 — CID 124877011

IUPACmethyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate
SMILESCOC(=O)C[C@H](CC(C)C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C24H30N2O4/c1-15(2)11-18(13-22(28)30-4)23-21(27)12-16(3)26(24(23)29)10-9-17-14-25-20-8-6-5-7-19(17)20/h5-8,12,14-15,18,25,27H,9-11,13H2,1-4H3/t18-/m0/s1
InChIKeyHRWOZYHHRFQGJP-SFHVURJKSA-N
MW410.51 g/mol
LogP4.28
Rot. Bonds8

About methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate

methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate (PubChem CID 124877011) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate.

Molecular Properties

Compound Namemethyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate
PubChem CID124877011
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate
SMILESCOC(=O)C[C@H](CC(C)C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O
InChIInChI=1S/C24H30N2O4/c1-15(2)11-18(13-22(28)30-4)23-21(27)12-16(3)26(24(23)29)10-9-17-14-25-20-8-6-5-7-19(17)20/h5-8,12,14-15,18,25,27H,9-11,13H2,1-4H3/t18-/m0/s1
InChIKeyHRWOZYHHRFQGJP-SFHVURJKSA-N
XLogP4.28
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-(furan-2-yl)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 110207959
methyl (3R)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(3,4,5-trifluorophenyl)propanoate
CID 124879403
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 124880023
methyl (3R)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(4-methoxynaphthalen-1-yl)propanoate
CID 124876087
methyl (3R)-3-(2,4-dimethoxyphenyl)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 124879960
methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoate
CID 124873982
methyl (3R)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 124879808
methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-quinolin-4-ylpropanoate
CID 127253765
methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-3-naphthalen-1-ylpropanoate
CID 127255102
methyl 3-(2-bromophenyl)-3-[1-[2-(3,4-dihydroxyphenyl)ethyl]-4-hydroxy-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 110208004
6-hydroxy-1,3-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-dione
CID 90716219
diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 1288214

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate?
The IUPAC name of methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate (CID 124877011) is methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate.
What is the SMILES notation for methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate?
The canonical SMILES for methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate is COC(=O)C[C@H](CC(C)C)c1c(O)cc(C)n(CCc2c[nH]c3ccccc23)c1=O.
What is the InChIKey of methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate?
The InChIKey is HRWOZYHHRFQGJP-SFHVURJKSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-15(2)11-18(13-22(28)30-4)23-21(27)12-16(3)26(24(23)29)10-9-17-14-25-20-8-6-5-7-19(17)20/h5-8,12,14-15,18,25,27H,9-11,13H2,1-4H3/t18-/m0/s1.
What are the key properties of methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate?
methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate has a molecular weight of 410.51 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]-5-methylhexanoate is sourced from PubChem (CID 124877011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).