3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid

C13H20N2O6 — CID 104774823

IUPAC3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1COCCN1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C13H20N2O6/c1-20-12(18)10-7-21-5-4-15(10)13(19)14-9(6-11(16)17)8-2-3-8/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyTYWKJIJBYDQSPN-UHFFFAOYSA-N
MW300.31 g/mol
LogP-0.18
Rot. Bonds5

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

3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid (PubChem CID 104774823) has the molecular formula C13H20N2O6 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
PubChem CID104774823
Molecular FormulaC13H20N2O6
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
SMILESCOC(=O)C1COCCN1C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C13H20N2O6/c1-20-12(18)10-7-21-5-4-15(10)13(19)14-9(6-11(16)17)8-2-3-8/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17)
InChIKeyTYWKJIJBYDQSPN-UHFFFAOYSA-N
XLogP-0.18
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]pentanoic acid
CID 104774758
3-hydroxy-2-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid
CID 104774698
methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
2-[(3-methoxycarbonylmorpholine-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 104774718
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid (CID 104774823) is 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid is COC(=O)C1COCCN1C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
The InChIKey is TYWKJIJBYDQSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O6/c1-20-12(18)10-7-21-5-4-15(10)13(19)14-9(6-11(16)17)8-2-3-8/h8-10H,2-7H2,1H3,(H,14,19)(H,16,17).
What are the key properties of 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid?
3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid has a molecular weight of 300.31 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(3-methoxycarbonylmorpholine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 104774823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).