2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium

C10H16N5O4+ — CID 4627781

IUPAC2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium
SMILESNc1ccn(CC(=O)N(CC[NH3+])CC(=O)O)c(=O)n1
InChIInChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
InChIKeyMFPUAOSBORLXTD-UHFFFAOYSA-O
MW270.27 g/mol
LogP-3.02
Rot. Bonds6

About 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium

2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium (PubChem CID 4627781) has the molecular formula C10H16N5O4+ and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium.

Molecular Properties

Compound Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium
PubChem CID4627781
Molecular FormulaC10H16N5O4+
Molecular Weight270.27 g/mol
Exact Mass270.12
IUPAC Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium
SMILESNc1ccn(CC(=O)N(CC[NH3+])CC(=O)O)c(=O)n1
InChIInChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1
InChIKeyMFPUAOSBORLXTD-UHFFFAOYSA-O
XLogP-3.02
TPSA146.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 5-3.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium?
The IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium (CID 4627781) is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium.
What is the SMILES notation for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium?
The canonical SMILES for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium is Nc1ccn(CC(=O)N(CC[NH3+])CC(=O)O)c(=O)n1.
What is the InChIKey of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium?
The InChIKey is MFPUAOSBORLXTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15N5O4/c11-2-4-14(6-9(17)18)8(16)5-15-3-1-7(12)13-10(15)19/h1,3H,2,4-6,11H2,(H,17,18)(H2,12,13,19)/p+1.
What are the key properties of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium?
2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium has a molecular weight of 270.27 g/mol, XLogP of -3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-(carboxymethyl)amino]ethylazanium is sourced from PubChem (CID 4627781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).