2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid

C11H20N2O4 — CID 115179520

IUPAC2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
SMILESCN(CCC1CCOCC1)C(=O)C(N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-13(10(14)9(12)11(15)16)5-2-8-3-6-17-7-4-8/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyMEDYYDRYSFFXEE-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.33
Rot. Bonds5

About 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid

2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid (PubChem CID 115179520) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
PubChem CID115179520
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
SMILESCN(CCC1CCOCC1)C(=O)C(N)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-13(10(14)9(12)11(15)16)5-2-8-3-6-17-7-4-8/h8-9H,2-7,12H2,1H3,(H,15,16)
InChIKeyMEDYYDRYSFFXEE-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 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 ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic 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

3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181361
2-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181196
2-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119331843
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]pentanamide
CID 115156830
3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid
CID 115163624
3-amino-4-[methyl-[2-(oxan-4-yl)ethyl]amino]butanoic acid
CID 115241885
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
3-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]cyclopentane-1-carboxamide
CID 119798087
3-(hydroxymethyl)-N-methyl-N-[2-(oxan-4-yl)ethyl]oxetane-3-carboxamide
CID 115185474
4-amino-3-methoxy-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 120593000
2-(dimethylamino)-N-methyl-2-(3-methylphenyl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 72885539
1-[methyl-[2-(oxan-4-yl)ethyl]amino]propan-2-one
CID 115235227

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid?
The IUPAC name of 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid (CID 115179520) is 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid.
What is the SMILES notation for 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid?
The canonical SMILES for 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid is CN(CCC1CCOCC1)C(=O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid?
The InChIKey is MEDYYDRYSFFXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-13(10(14)9(12)11(15)16)5-2-8-3-6-17-7-4-8/h8-9H,2-7,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid?
2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl-[2-(oxan-4-yl)ethyl]amino]-3-oxopropanoic acid is sourced from PubChem (CID 115179520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).