3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid

C12H17N3O5 — CID 52903632

IUPAC3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(CN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c16-10(17)1-2-15-8-9(11(18)13-12(15)19)7-14-3-5-20-6-4-14/h8H,1-7H2,(H,16,17)(H,13,18,19)
InChIKeyRPZLAGMJSAKBJZ-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.16
Rot. Bonds5

About 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid

3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid (PubChem CID 52903632) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
PubChem CID52903632
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(CN2CCOCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O5/c16-10(17)1-2-15-8-9(11(18)13-12(15)19)7-14-3-5-20-6-4-14/h8H,1-7H2,(H,16,17)(H,13,18,19)
InChIKeyRPZLAGMJSAKBJZ-UHFFFAOYSA-N
XLogP-1.16
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
The IUPAC name of 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid (CID 52903632) is 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
The canonical SMILES for 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid is O=C(O)CCn1cc(CN2CCOCC2)c(=O)[nH]c1=O.
What is the InChIKey of 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
The InChIKey is RPZLAGMJSAKBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c16-10(17)1-2-15-8-9(11(18)13-12(15)19)7-14-3-5-20-6-4-14/h8H,1-7H2,(H,16,17)(H,13,18,19).
What are the key properties of 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid?
3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid has a molecular weight of 283.28 g/mol, XLogP of -1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(morpholin-4-ylmethyl)-2,4-dioxopyrimidin-1-yl]propanoic acid is sourced from PubChem (CID 52903632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).