(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate

C19H18N2O3 — CID 2577847

IUPAC(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(21-15-6-2-1-3-7-15)13-24-19(23)11-10-14-12-20-17-9-5-4-8-16(14)17/h1-9,12,20H,10-11,13H2,(H,21,22)
InChIKeyUNYQRKBADRFFQL-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.28
Rot. Bonds6

About (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate

(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate (PubChem CID 2577847) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate
PubChem CID2577847
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate
SMILESO=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1
InChIInChI=1S/C19H18N2O3/c22-18(21-15-6-2-1-3-7-15)13-24-19(23)11-10-14-12-20-17-9-5-4-8-16(14)17/h1-9,12,20H,10-11,13H2,(H,21,22)
InChIKeyUNYQRKBADRFFQL-UHFFFAOYSA-N
XLogP3.28
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
Indole-3-pyruvic acid
CID 803
N-Acetyl-L-tryptophan
CID 700653
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate
CID 6923516
N-Acetyltryptophan
CID 2002
Indole-3-lactic acid
CID 92904
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458
Valyltryptophan
CID 168182

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate (CID 2577847) is (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate is O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate?
The InChIKey is UNYQRKBADRFFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18(21-15-6-2-1-3-7-15)13-24-19(23)11-10-14-12-20-17-9-5-4-8-16(14)17/h1-9,12,20H,10-11,13H2,(H,21,22).
What are the key properties of (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate?
(2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate has a molecular weight of 322.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 2577847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).