[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate

C16H20N2O4 — CID 51852107

IUPAC[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@H](C)OC(C)=O)c2c1
InChIInChI=1S/C16H20N2O4/c1-10(22-11(2)19)16(20)17-7-6-12-9-18-15-5-4-13(21-3)8-14(12)15/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyWXBBQESHFXWQQQ-JTQLQIEISA-N
MW304.35 g/mol
LogP1.79
Rot. Bonds6

About [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate

[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate (PubChem CID 51852107) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
PubChem CID51852107
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
SMILESCOc1ccc2[nH]cc(CCNC(=O)[C@H](C)OC(C)=O)c2c1
InChIInChI=1S/C16H20N2O4/c1-10(22-11(2)19)16(20)17-7-6-12-9-18-15-5-4-13(21-3)8-14(12)15/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,20)/t10-/m0/s1
InChIKeyWXBBQESHFXWQQQ-JTQLQIEISA-N
XLogP1.79
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
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3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
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N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
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1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243
2-amino-3-(1H-indol-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 70147213
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate?
The IUPAC name of [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate (CID 51852107) is [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate is COc1ccc2[nH]cc(CCNC(=O)[C@H](C)OC(C)=O)c2c1.
What is the InChIKey of [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate?
The InChIKey is WXBBQESHFXWQQQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(22-11(2)19)16(20)17-7-6-12-9-18-15-5-4-13(21-3)8-14(12)15/h4-5,8-10,18H,6-7H2,1-3H3,(H,17,20)/t10-/m0/s1.
What are the key properties of [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate?
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate has a molecular weight of 304.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 51852107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).