2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid

C9H14N4O2 — CID 54058683

IUPAC2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid
SMILESNc1ccnc(CCCC(N)C(=O)O)n1
InChIInChI=1S/C9H14N4O2/c10-6(9(14)15)2-1-3-8-12-5-4-7(11)13-8/h4-6H,1-3,10H2,(H,14,15)(H2,11,12,13)
InChIKeyLYCBHOWTRYBAQX-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.21
Rot. Bonds5

About 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid

2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid (PubChem CID 54058683) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid
PubChem CID54058683
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid
SMILESNc1ccnc(CCCC(N)C(=O)O)n1
InChIInChI=1S/C9H14N4O2/c10-6(9(14)15)2-1-3-8-12-5-4-7(11)13-8/h4-6H,1-3,10H2,(H,14,15)(H2,11,12,13)
InChIKeyLYCBHOWTRYBAQX-UHFFFAOYSA-N
XLogP-0.21
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid (CID 54058683) is 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid is Nc1ccnc(CCCC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid?
The InChIKey is LYCBHOWTRYBAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c10-6(9(14)15)2-1-3-8-12-5-4-7(11)13-8/h4-6H,1-3,10H2,(H,14,15)(H2,11,12,13).
What are the key properties of 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid?
2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid has a molecular weight of 210.24 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-aminopyrimidin-2-yl)pentanoic acid is sourced from PubChem (CID 54058683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).