methyl 2-acetamido-3-(1H-indol-3-yl)propanoate

C14H16N2O3 — CID 582449

IUPACmethyl 2-acetamido-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C14H16N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,17)
InChIKeyXZECNVJPYDPBAM-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.39
Rot. Bonds4

About methyl 2-acetamido-3-(1H-indol-3-yl)propanoate

methyl 2-acetamido-3-(1H-indol-3-yl)propanoate (PubChem CID 582449) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-acetamido-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(1H-indol-3-yl)propanoate
PubChem CID582449
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-acetamido-3-(1H-indol-3-yl)propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C14H16N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,17)
InChIKeyXZECNVJPYDPBAM-UHFFFAOYSA-N
XLogP1.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(1H-indol-3-yl)propanoate (CID 582449) is methyl 2-acetamido-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(1H-indol-3-yl)propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
The InChIKey is XZECNVJPYDPBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(17)16-13(14(18)19-2)7-10-8-15-12-6-4-3-5-11(10)12/h3-6,8,13,15H,7H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-acetamido-3-(1H-indol-3-yl)propanoate?
methyl 2-acetamido-3-(1H-indol-3-yl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 582449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).