2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid

C16H14N6O2 — CID 175113116

IUPAC2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid
SMILESNC(C(=O)O)(c1ccncn1)C(c1cccnc1)c1ccncn1
InChIInChI=1S/C16H14N6O2/c17-16(15(23)24,13-4-7-20-10-22-13)14(11-2-1-5-18-8-11)12-3-6-19-9-21-12/h1-10,14H,17H2,(H,23,24)
InChIKeySIYBGRPEBYWQJO-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.73
Rot. Bonds5

About 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid

2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid (PubChem CID 175113116) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid
PubChem CID175113116
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid
SMILESNC(C(=O)O)(c1ccncn1)C(c1cccnc1)c1ccncn1
InChIInChI=1S/C16H14N6O2/c17-16(15(23)24,13-4-7-20-10-22-13)14(11-2-1-5-18-8-11)12-3-6-19-9-21-12/h1-10,14H,17H2,(H,23,24)
InChIKeySIYBGRPEBYWQJO-UHFFFAOYSA-N
XLogP0.73
TPSA127.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol
CID 11559467
2-phenyl-2-pyrimidin-4-ylacetamide
CID 69091558
N-methyl-1-pyridin-3-yl-1-pyrimidin-4-ylmethanamine
CID 63988330
3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
CID 118946294
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-methyl-2-pyrimidin-4-ylpropanoic acid
CID 82414356
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
[pyrimidin-4-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105220929
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
2-amino-2-pyridin-3-ylacetohydrazide
CID 116848522
2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
CID 22714112

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid (CID 175113116) is 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid is NC(C(=O)O)(c1ccncn1)C(c1cccnc1)c1ccncn1.
What is the InChIKey of 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid?
The InChIKey is SIYBGRPEBYWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-16(15(23)24,13-4-7-20-10-22-13)14(11-2-1-5-18-8-11)12-3-6-19-9-21-12/h1-10,14H,17H2,(H,23,24).
What are the key properties of 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid?
2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid has a molecular weight of 322.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-3-yl-2,3-di(pyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 175113116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).