ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate

C14H17NO4 — CID 171867517

IUPACethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C14H17NO4/c1-3-19-14(18)13(17)12(16)9-7-15-10-6-4-5-8(2)11(9)10/h4-7,12-13,15-17H,3H2,1-2H3
InChIKeySBMOTYPDKNVSDM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate

ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate (PubChem CID 171867517) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
PubChem CID171867517
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Nameethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate
SMILESCCOC(=O)C(O)C(O)c1c[nH]c2cccc(C)c12
InChIInChI=1S/C14H17NO4/c1-3-19-14(18)13(17)12(16)9-7-15-10-6-4-5-8(2)11(9)10/h4-7,12-13,15-17H,3H2,1-2H3
InChIKeySBMOTYPDKNVSDM-UHFFFAOYSA-N
XLogP1.43
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
(3S)-3-amino-3-(4-methyl-1H-indol-3-yl)propanoic acid
CID 96783337
2-amino-2-(4-methyl-1H-indol-3-yl)acetic acid
CID 82396670
(2S,3S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944842
(2S)-2-amino-3-(4-methyl-1H-indol-3-yl)pentanoic acid
CID 140944821
1-(4-methyl-1H-indol-3-yl)ethanamine
CID 82598720
ethyl 2,3-dihydroxy-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 171866265
4-methyl-3-propan-2-yl-1H-indole
CID 123915873
ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
ethyl 3-(2-ethylphenyl)-2,3-dihydroxypropanoate
CID 171865666
ethyl 2,3-dihydroxy-3-(2-sulfanylphenyl)propanoate
CID 171865532

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate?
The IUPAC name of ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate (CID 171867517) is ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate.
What is the SMILES notation for ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate?
The canonical SMILES for ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate is CCOC(=O)C(O)C(O)c1c[nH]c2cccc(C)c12.
What is the InChIKey of ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate?
The InChIKey is SBMOTYPDKNVSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-14(18)13(17)12(16)9-7-15-10-6-4-5-8(2)11(9)10/h4-7,12-13,15-17H,3H2,1-2H3.
What are the key properties of ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate?
ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate has a molecular weight of 263.29 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dihydroxy-3-(4-methyl-1H-indol-3-yl)propanoate is sourced from PubChem (CID 171867517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).