2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid

C9H15N3O3 — CID 22326313

IUPAC2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid
SMILESNC(CCCN1C=CC(=O)NC1)C(=O)O
InChIInChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-4-12-5-3-8(13)11-6-12/h3,5,7H,1-2,4,6,10H2,(H,11,13)(H,14,15)
InChIKeySWVVYWZZIRTGTL-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.92
Rot. Bonds5

About 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid

2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid (PubChem CID 22326313) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid
PubChem CID22326313
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid
SMILESNC(CCCN1C=CC(=O)NC1)C(=O)O
InChIInChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-4-12-5-3-8(13)11-6-12/h3,5,7H,1-2,4,6,10H2,(H,11,13)(H,14,15)
InChIKeySWVVYWZZIRTGTL-UHFFFAOYSA-N
XLogP-0.92
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid (CID 22326313) is 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid is NC(CCCN1C=CC(=O)NC1)C(=O)O.
What is the InChIKey of 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid?
The InChIKey is SWVVYWZZIRTGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c10-7(9(14)15)2-1-4-12-5-3-8(13)11-6-12/h3,5,7H,1-2,4,6,10H2,(H,11,13)(H,14,15).
What are the key properties of 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid?
2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid has a molecular weight of 213.24 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(6-oxo-1,2-dihydropyrimidin-3-yl)pentanoic acid is sourced from PubChem (CID 22326313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).