methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C19H24N4O5 — CID 154651983

About methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 154651983) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

• Compound Name: methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• PubChem CID: 154651983
• Molecular Formula: C19H24N4O5
• Molecular Weight: 388.42 g/mol
• Exact Mass: 388.17
• IUPAC Name: methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• SMILES: COC(=O)[C@@H](Cc1ccc(-n2ccc(N)nc2=O)cc1)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C19H24N4O5/c1-19(2,3)28-18(26)21-14(16(24)27-4)11-12-5-7-13(8-6-12)23-10-9-15(20)22-17(23)25/h5-10,14H,11H2,1-4H3,(H,21,26)(H2,20,22,25)/t14-/m1/s1
• InChIKey: XGMGRNQLDZAFQO-CQSZACIVSA-N
• XLogP: 1.42
• TPSA: 125.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.42
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The IUPAC name of methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 154651983) is methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

What is the SMILES notation for methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The canonical SMILES for methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is COC(=O)[C@@H](Cc1ccc(-n2ccc(N)nc2=O)cc1)NC(=O)OC(C)(C)C.

What is the InChIKey of methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The InChIKey is XGMGRNQLDZAFQO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-19(2,3)28-18(26)21-14(16(24)27-4)11-12-5-7-13(8-6-12)23-10-9-15(20)22-17(23)25/h5-10,14H,11H2,1-4H3,(H,21,26)(H2,20,22,25)/t14-/m1/s1.

What are the key properties of methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 388.42 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (2R)-3-[4-(4-amino-2-oxopyrimidin-1-yl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 154651983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).