3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid

C22H18N2O3 — CID 16773323

IUPAC3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3/c25-21(16-10-9-14-5-1-2-6-15(14)11-16)24-20(22(26)27)12-17-13-23-19-8-4-3-7-18(17)19/h1-11,13,20,23H,12H2,(H,24,25)(H,26,27)
InChIKeyIMROYEDZWIZGEE-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.75
Rot. Bonds5

About 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid

3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid (PubChem CID 16773323) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
PubChem CID16773323
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
SMILESO=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O3/c25-21(16-10-9-14-5-1-2-6-15(14)11-16)24-20(22(26)27)12-17-13-23-19-8-4-3-7-18(17)19/h1-11,13,20,23H,12H2,(H,24,25)(H,26,27)
InChIKeyIMROYEDZWIZGEE-UHFFFAOYSA-N
XLogP3.75
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The IUPAC name of 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid (CID 16773323) is 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The canonical SMILES for 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid is O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid?
The InChIKey is IMROYEDZWIZGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(16-10-9-14-5-1-2-6-15(14)11-16)24-20(22(26)27)12-17-13-23-19-8-4-3-7-18(17)19/h1-11,13,20,23H,12H2,(H,24,25)(H,26,27).
What are the key properties of 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid?
3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid has a molecular weight of 358.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-2-(naphthalene-2-carbonylamino)propanoic acid is sourced from PubChem (CID 16773323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).