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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 104774702
4-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]butanoic acid
CID 83104157
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
2-[[3-(ethylcarbamoyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 83103394
4-[2-ethoxyethyl(methyl)carbamoyl]morpholine-3-carboxylic acid
CID 81058113
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 104774758
2-[methyl-[3-(propylcarbamoyl)morpholine-4-carbonyl]amino]acetic acid
CID 83103120
3-[cyclopropyl-[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]propanoic acid
CID 83104295

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).