[1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride

C18H29ClN4O7 — CID 143254228

About [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride

[1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride (PubChem CID 143254228) has the molecular formula C18H29ClN4O7 and a molecular weight of 448.90 g/mol. Its IUPAC name is [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

• Compound Name: [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
• PubChem CID: 143254228
• Molecular Formula: C18H29ClN4O7
• Molecular Weight: 448.90 g/mol
• Exact Mass: 448.17
• IUPAC Name: [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
• SMILES: CC(OC(=O)C(N)C(C)C)C(=O)OCC1OC(n2ccc(N)nc2=O)CC1CO.Cl
• InChI: InChI=1S/C18H28N4O7.ClH/c1-9(2)15(20)17(25)28-10(3)16(24)27-8-12-11(7-23)6-14(29-12)22-5-4-13(19)21-18(22)26;/h4-5,9-12,14-15,23H,6-8,20H2,1-3H3,(H2,19,21,26);1H
• InChIKey: KDVJSLROOZLBRW-UHFFFAOYSA-N
• XLogP: -0.40
• TPSA: 168.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.90
LogP ≤ 5	-0.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride?

The IUPAC name of [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride (CID 143254228) is [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride.

What is the SMILES notation for [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride?

The canonical SMILES for [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride is CC(OC(=O)C(N)C(C)C)C(=O)OCC1OC(n2ccc(N)nc2=O)CC1CO.Cl.

What is the InChIKey of [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride?

The InChIKey is KDVJSLROOZLBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O7.ClH/c1-9(2)15(20)17(25)28-10(3)16(24)27-8-12-11(7-23)6-14(29-12)22-5-4-13(19)21-18(22)26;/h4-5,9-12,14-15,23H,6-8,20H2,1-3H3,(H2,19,21,26);1H.

What are the key properties of [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride?

[1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride has a molecular weight of 448.90 g/mol, XLogP of -0.40, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[5-(4-amino-2-oxopyrimidin-1-yl)-3-(hydroxymethyl)oxolan-2-yl]methoxy]-1-oxopropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 143254228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).