2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid

C14H13N3O3 — CID 102921485

IUPAC2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1cncnc1
InChIInChI=1S/C14H13N3O3/c18-13(11-6-15-9-16-7-11)17-8-12(14(19)20)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,17,18)(H,19,20)
InChIKeyVJOXLWZVZNKVEB-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.07
Rot. Bonds5

About 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid

2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid (PubChem CID 102921485) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
PubChem CID102921485
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid
SMILESO=C(NCC(C(=O)O)c1ccccc1)c1cncnc1
InChIInChI=1S/C14H13N3O3/c18-13(11-6-15-9-16-7-11)17-8-12(14(19)20)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,17,18)(H,19,20)
InChIKeyVJOXLWZVZNKVEB-UHFFFAOYSA-N
XLogP1.07
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-hydroxypyridine-3-carbonyl)amino]-2-phenylpropanoic acid
CID 63851328
5-[(2-carboxy-2-phenylethyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 162349981
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
3-(furan-3-carbonylamino)-2-phenylpropanoic acid
CID 62883834
2-phenyl-3-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120528817
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
3-[(5-bromothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 62884007
(2S)-2-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97081236
3-[(4,6-dimethoxypyrimidine-5-carbonyl)amino]-2-phenylpropanoic acid
CID 120528815
2-phenyl-3-[[3-(propylcarbamoyl)benzoyl]amino]propanoic acid
CID 119254516
3-[(2-fluorobenzoyl)amino]-2-phenylpropanoic acid
CID 62882788
3-[(2,6-dichlorobenzoyl)amino]-2-phenylpropanoic acid
CID 155944087

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid (CID 102921485) is 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid is O=C(NCC(C(=O)O)c1ccccc1)c1cncnc1.
What is the InChIKey of 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid?
The InChIKey is VJOXLWZVZNKVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(11-6-15-9-16-7-11)17-8-12(14(19)20)10-4-2-1-3-5-10/h1-7,9,12H,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid?
2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(pyrimidine-5-carbonylamino)propanoic acid is sourced from PubChem (CID 102921485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).