2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid

C8H13N3O3 — CID 22326303

IUPAC2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid
SMILESNC(CCN1C=CC(=O)NC1)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-6(8(13)14)1-3-11-4-2-7(12)10-5-11/h2,4,6H,1,3,5,9H2,(H,10,12)(H,13,14)
InChIKeyVOHVZZQWTDNWHG-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.31
Rot. Bonds4

About 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid

2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid (PubChem CID 22326303) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid
PubChem CID22326303
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid
SMILESNC(CCN1C=CC(=O)NC1)C(=O)O
InChIInChI=1S/C8H13N3O3/c9-6(8(13)14)1-3-11-4-2-7(12)10-5-11/h2,4,6H,1,3,5,9H2,(H,10,12)(H,13,14)
InChIKeyVOHVZZQWTDNWHG-UHFFFAOYSA-N
XLogP-1.31
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid?
The IUPAC name of 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid (CID 22326303) is 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid is NC(CCN1C=CC(=O)NC1)C(=O)O.
What is the InChIKey of 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid?
The InChIKey is VOHVZZQWTDNWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c9-6(8(13)14)1-3-11-4-2-7(12)10-5-11/h2,4,6H,1,3,5,9H2,(H,10,12)(H,13,14).
What are the key properties of 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid?
2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid has a molecular weight of 199.21 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-oxo-1,2-dihydropyrimidin-3-yl)butanoic acid is sourced from PubChem (CID 22326303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).