3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid

C11H20N2O4 — CID 55049600

IUPAC3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
SMILESCC(C)(CNC(=O)CC(=O)O)N1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-11(2,13-3-5-17-6-4-13)8-12-9(14)7-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyWDINVFGYMZAVIX-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds5

About 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid

3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid (PubChem CID 55049600) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
PubChem CID55049600
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
SMILESCC(C)(CNC(=O)CC(=O)O)N1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-11(2,13-3-5-17-6-4-13)8-12-9(14)7-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyWDINVFGYMZAVIX-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 60685788
5-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 79193032
3-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 110024325
5-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
CID 61251075
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
2-(1-aminocyclohexyl)-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 64679417
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
N-(2-methyl-2-morpholin-4-ylpropyl)-2-piperazin-1-ylacetamide
CID 61250159
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829
N-(2-methyl-2-morpholin-4-ylpropyl)but-2-enamide
CID 78907145
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid (CID 55049600) is 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid is CC(C)(CNC(=O)CC(=O)O)N1CCOCC1.
What is the InChIKey of 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid?
The InChIKey is WDINVFGYMZAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,13-3-5-17-6-4-13)8-12-9(14)7-10(15)16/h3-8H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid?
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 55049600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).