3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid

C15H13N3O2 — CID 82304795

IUPAC3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cncnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2/c19-14(20)6-5-10-7-16-9-18-15(10)12-8-17-13-4-2-1-3-11(12)13/h1-4,7-9,17H,5-6H2,(H,19,20)
InChIKeyHCVFIWUFAJGWKV-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.64
Rot. Bonds4

About 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid

3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid (PubChem CID 82304795) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid
PubChem CID82304795
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cncnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C15H13N3O2/c19-14(20)6-5-10-7-16-9-18-15(10)12-8-17-13-4-2-1-3-11(12)13/h1-4,7-9,17H,5-6H2,(H,19,20)
InChIKeyHCVFIWUFAJGWKV-UHFFFAOYSA-N
XLogP2.64
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1H-pyrrol-3-yl)pyrimidin-5-yl]propanoic acid
CID 82285096
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
3-[4-(1-methylpyrrol-3-yl)pyrimidin-5-yl]propanoic acid
CID 82289123
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
CID 82481705
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
3-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]butanoic acid
CID 116878808
calcium;1H-indole;bis(3-(1H-indol-3-yl)propanoate);bis(3-(1H-indol-3-yl)propanoic acid)
CID 159793509
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
3-(4-methoxypyrimidin-5-yl)propanoic acid
CID 82654769
4-(1H-indol-3-yl)butanamide
CID 588715

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid (CID 82304795) is 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid is O=C(O)CCc1cncnc1-c1c[nH]c2ccccc12.
What is the InChIKey of 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid?
The InChIKey is HCVFIWUFAJGWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14(20)6-5-10-7-16-9-18-15(10)12-8-17-13-4-2-1-3-11(12)13/h1-4,7-9,17H,5-6H2,(H,19,20).
What are the key properties of 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid?
3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 82304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).