2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid

C11H17N5O4 — CID 4627777

IUPAC2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid
SMILESCNCCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C11H17N5O4/c1-13-3-5-15(7-10(18)19)9(17)6-16-4-2-8(12)14-11(16)20/h2,4,13H,3,5-7H2,1H3,(H,18,19)(H2,12,14,20)
InChIKeySITVQMZVKMJCIJ-UHFFFAOYSA-N
MW283.29 g/mol
LogP-2.04
Rot. Bonds7

About 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid

2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid (PubChem CID 4627777) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid
PubChem CID4627777
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid
SMILESCNCCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O
InChIInChI=1S/C11H17N5O4/c1-13-3-5-15(7-10(18)19)9(17)6-16-4-2-8(12)14-11(16)20/h2,4,13H,3,5-7H2,1H3,(H,18,19)(H2,12,14,20)
InChIKeySITVQMZVKMJCIJ-UHFFFAOYSA-N
XLogP-2.04
TPSA130.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid (CID 4627777) is 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid is CNCCN(CC(=O)O)C(=O)Cn1ccc(N)nc1=O.
What is the InChIKey of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid?
The InChIKey is SITVQMZVKMJCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-13-3-5-15(7-10(18)19)9(17)6-16-4-2-8(12)14-11(16)20/h2,4,13H,3,5-7H2,1H3,(H,18,19)(H2,12,14,20).
What are the key properties of 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid?
2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid has a molecular weight of 283.29 g/mol, XLogP of -2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-amino-2-oxopyrimidin-1-yl)acetyl]-[2-(methylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 4627777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).