2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

C10H15N5O4 — CID 102467211

IUPAC2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESNc1ccn(CC(=O)NCCC(N)C(=O)O)c(=O)n1
InChIInChI=1S/C10H15N5O4/c11-6(9(17)18)1-3-13-8(16)5-15-4-2-7(12)14-10(15)19/h2,4,6H,1,3,5,11H2,(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyVHNSULYSXDMLHK-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.26
Rot. Bonds6

About 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 102467211) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID102467211
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESNc1ccn(CC(=O)NCCC(N)C(=O)O)c(=O)n1
InChIInChI=1S/C10H15N5O4/c11-6(9(17)18)1-3-13-8(16)5-15-4-2-7(12)14-10(15)19/h2,4,6H,1,3,5,11H2,(H,13,16)(H,17,18)(H2,12,14,19)
InChIKeyVHNSULYSXDMLHK-UHFFFAOYSA-N
XLogP-2.26
TPSA153.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

2-Aminoethyllysine-carbonylmethylene-cytosine
CID 5287874
N-[(4-amino-2-oxopyrimidin-1(2H)-yl)acetyl]-N-[(2S)-2-aminopropyl]glycine
CID 49866500
(2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid
CID 49867238
(2S)-6-amino-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 91610677
(2S)-2-[3-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]propanoic acid
CID 100972033
gamma-(n1-Cytosinyl)-alpha-aminobutyric acid
CID 129871215
2-amino-4-(4-amino-2H-pyrimidin-1-yl)butanoic acid
CID 22326385
(2S)-4-(4-amino-2-oxopyrimidin-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 89987737
(2R)-2-[2-aminoethyl-[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 102214320
2-amino-4-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid;4-amino-3-methyl-1H-pyrimidin-3-ium-2-one
CID 175303837
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
4-Amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43357093

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 102467211) is 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is Nc1ccn(CC(=O)NCCC(N)C(=O)O)c(=O)n1.
What is the InChIKey of 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is VHNSULYSXDMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-6(9(17)18)1-3-13-8(16)5-15-4-2-7(12)14-10(15)19/h2,4,6H,1,3,5,11H2,(H,13,16)(H,17,18)(H2,12,14,19).
What are the key properties of 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of -2.26, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 102467211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).