3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid

C18H16N2O3 — CID 75495645

IUPAC3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H16N2O3/c21-17(22)8-3-12-1-5-15(6-2-12)20-18(23)14-4-7-16-13(11-14)9-10-19-16/h1-2,4-7,9-11,19H,3,8H2,(H,20,23)(H,21,22)
InChIKeyNPWRDINYGUJEEO-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.44
Rot. Bonds5

About 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid

3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid (PubChem CID 75495645) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
PubChem CID75495645
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C18H16N2O3/c21-17(22)8-3-12-1-5-15(6-2-12)20-18(23)14-4-7-16-13(11-14)9-10-19-16/h1-2,4-7,9-11,19H,3,8H2,(H,20,23)(H,21,22)
InChIKeyNPWRDINYGUJEEO-UHFFFAOYSA-N
XLogP3.44
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-difluorophenyl)-1H-indole-5-carboxamide
CID 63718780
3-(1H-indol-6-yl)propanoic acid
CID 23178857
N-(3-ethylphenyl)-1H-indole-5-carboxamide
CID 63717864
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
4-[(1H-indole-5-carbonylamino)methyl]benzoic acid
CID 141342691
N-(1H-indol-5-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61250452
3-(1H-indol-5-yl)-3-oxopropanoic acid
CID 170886874
N-(3-chlorophenyl)-1H-indole-5-carboxamide
CID 55230182
4-[2-(1H-indole-5-carbonylamino)phenoxy]butanoic acid
CID 139632495
3-[4-[(4-propan-2-ylphenyl)carbamoyl]phenyl]propanoic acid
CID 28760251
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
methyl 4-(1H-indole-6-carbonylamino)benzoate
CID 46460139

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid?
The IUPAC name of 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid (CID 75495645) is 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid?
The InChIKey is NPWRDINYGUJEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(22)8-3-12-1-5-15(6-2-12)20-18(23)14-4-7-16-13(11-14)9-10-19-16/h1-2,4-7,9-11,19H,3,8H2,(H,20,23)(H,21,22).
What are the key properties of 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid?
3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid has a molecular weight of 308.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indole-5-carbonylamino)phenyl]propanoic acid is sourced from PubChem (CID 75495645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).