4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid

C9H14N4O3 — CID 19710923

IUPAC4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
SMILESNc1ccn(CC(N)CCC(=O)O)c(=O)n1
InChIInChI=1S/C9H14N4O3/c10-6(1-2-8(14)15)5-13-4-3-7(11)12-9(13)16/h3-4,6H,1-2,5,10H2,(H,14,15)(H2,11,12,16)
InChIKeyGCCAYGPAISCTJI-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.98
Rot. Bonds5

About 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid

4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid (PubChem CID 19710923) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
PubChem CID19710923
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid
SMILESNc1ccn(CC(N)CCC(=O)O)c(=O)n1
InChIInChI=1S/C9H14N4O3/c10-6(1-2-8(14)15)5-13-4-3-7(11)12-9(13)16/h3-4,6H,1-2,5,10H2,(H,14,15)(H2,11,12,16)
InChIKeyGCCAYGPAISCTJI-UHFFFAOYSA-N
XLogP-0.98
TPSA124.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid (CID 19710923) is 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid is Nc1ccn(CC(N)CCC(=O)O)c(=O)n1.
What is the InChIKey of 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
The InChIKey is GCCAYGPAISCTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c10-6(1-2-8(14)15)5-13-4-3-7(11)12-9(13)16/h3-4,6H,1-2,5,10H2,(H,14,15)(H2,11,12,16).
What are the key properties of 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid?
4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid has a molecular weight of 226.24 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(4-amino-2-oxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 19710923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).