2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid

C8H14N4O2 — CID 22326385

IUPAC2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid
SMILESNC1=NCN(CCC(N)C(=O)O)C=C1
InChIInChI=1S/C8H14N4O2/c9-6(8(13)14)1-3-12-4-2-7(10)11-5-12/h2,4,6H,1,3,5,9H2,(H2,10,11)(H,13,14)
InChIKeyFSWXNNCNHCGAOO-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.07
Rot. Bonds4

About 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid

2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid (PubChem CID 22326385) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid
PubChem CID22326385
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid
SMILESNC1=NCN(CCC(N)C(=O)O)C=C1
InChIInChI=1S/C8H14N4O2/c9-6(8(13)14)1-3-12-4-2-7(10)11-5-12/h2,4,6H,1,3,5,9H2,(H2,10,11)(H,13,14)
InChIKeyFSWXNNCNHCGAOO-UHFFFAOYSA-N
XLogP-1.07
TPSA104.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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(2S)-2-amino-4-pyrrol-1-ylbutanoic acid
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(2R)-2-amino-6-(2,5-dioxopyrrol-1-yl)hexanoic acid
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(2R)-2-amino-4-(3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
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2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
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2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid (CID 22326385) is 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid is NC1=NCN(CCC(N)C(=O)O)C=C1.
What is the InChIKey of 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid?
The InChIKey is FSWXNNCNHCGAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-6(8(13)14)1-3-12-4-2-7(10)11-5-12/h2,4,6H,1,3,5,9H2,(H2,10,11)(H,13,14).
What are the key properties of 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid?
2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid has a molecular weight of 198.23 g/mol, XLogP of -1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid is sourced from PubChem (CID 22326385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).