3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid

C11H18N2O6 — CID 113451757

IUPAC3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
SMILESCOC(=O)C1COCCN1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c1-12(4-3-9(14)15)11(17)13-5-6-19-7-8(13)10(16)18-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeySELHWSAQBSJZJA-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.61
Rot. Bonds4

About 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid

3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid (PubChem CID 113451757) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
PubChem CID113451757
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
SMILESCOC(=O)C1COCCN1C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H18N2O6/c1-12(4-3-9(14)15)11(17)13-5-6-19-7-8(13)10(16)18-2/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeySELHWSAQBSJZJA-UHFFFAOYSA-N
XLogP-0.61
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid (CID 113451757) is 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid is COC(=O)C1COCCN1C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid?
The InChIKey is SELHWSAQBSJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-12(4-3-9(14)15)11(17)13-5-6-19-7-8(13)10(16)18-2/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid?
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 113451757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).