2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid

C17H20N4O5 — CID 119348614

IUPAC2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C17H20N4O5/c1-3-6-21-13-12(15(23)20-17(21)26)10(7-11(19-13)9-4-5-9)14(22)18-8(2)16(24)25/h7-9H,3-6H2,1-2H3,(H,18,22)(H,24,25)(H,20,23,26)
InChIKeyOTZDFXTUONQFHI-UHFFFAOYSA-N
MW360.37 g/mol
LogP0.58
Rot. Bonds6

About 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid

2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid (PubChem CID 119348614) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
PubChem CID119348614
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid
SMILESCCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)C(=O)O)cc(C3CC3)nc21
InChIInChI=1S/C17H20N4O5/c1-3-6-21-13-12(15(23)20-17(21)26)10(7-11(19-13)9-4-5-9)14(22)18-8(2)16(24)25/h7-9H,3-6H2,1-2H3,(H,18,22)(H,24,25)(H,20,23,26)
InChIKeyOTZDFXTUONQFHI-UHFFFAOYSA-N
XLogP0.58
TPSA134.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid (CID 119348614) is 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid is CCCn1c(=O)[nH]c(=O)c2c(C(=O)NC(C)C(=O)O)cc(C3CC3)nc21.
What is the InChIKey of 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
The InChIKey is OTZDFXTUONQFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-3-6-21-13-12(15(23)20-17(21)26)10(7-11(19-13)9-4-5-9)14(22)18-8(2)16(24)25/h7-9H,3-6H2,1-2H3,(H,18,22)(H,24,25)(H,20,23,26).
What are the key properties of 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid?
2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid has a molecular weight of 360.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-cyclopropyl-2,4-dioxo-1-propylpyrido[2,3-d]pyrimidine-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119348614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).