2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid

C16H16N4O3 — CID 166257935

IUPAC2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ncccn1)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N4O3/c21-15(22)12(10-14-17-7-3-8-18-14)19-16(23)20-9-6-11-4-1-2-5-13(11)20/h1-5,7-8,12H,6,9-10H2,(H,19,23)(H,21,22)
InChIKeyTZSBLEXABSRIQQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.24
Rot. Bonds4

About 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid

2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid (PubChem CID 166257935) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid
PubChem CID166257935
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid
SMILESO=C(O)C(Cc1ncccn1)NC(=O)N1CCc2ccccc21
InChIInChI=1S/C16H16N4O3/c21-15(22)12(10-14-17-7-3-8-18-14)19-16(23)20-9-6-11-4-1-2-5-13(11)20/h1-5,7-8,12H,6,9-10H2,(H,19,23)(H,21,22)
InChIKeyTZSBLEXABSRIQQ-UHFFFAOYSA-N
XLogP1.24
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindole-1-carbonylamino)-4-hydroxybutanoic acid
CID 61230248
3-cyclohexyl-2-(2,3-dihydroindole-1-carbonylamino)propanoic acid
CID 166748735
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)butanoic acid
CID 61185072
(2R)-3-hydroxy-2-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonylamino)propanoic acid
CID 80757153
4-amino-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-4-oxobutanoic acid
CID 61184722
(2S,3R)-2-(2,3-dihydroindole-1-carbonylamino)-3-methylpentanoic acid
CID 41129473
(2S)-2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61184377
2-(3,4-dihydro-2H-quinoline-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61184900
(2R)-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194966
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 99210544

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid (CID 166257935) is 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid is O=C(O)C(Cc1ncccn1)NC(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid?
The InChIKey is TZSBLEXABSRIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-15(22)12(10-14-17-7-3-8-18-14)19-16(23)20-9-6-11-4-1-2-5-13(11)20/h1-5,7-8,12H,6,9-10H2,(H,19,23)(H,21,22).
What are the key properties of 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid?
2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid has a molecular weight of 312.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonylamino)-3-pyrimidin-2-ylpropanoic acid is sourced from PubChem (CID 166257935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).