2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid

C11H20N2O4 — CID 82740401

IUPAC2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC(=O)NC(CN(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7-10(4-5-17-7)13(3)6-9(11(15)16)12-8(2)14/h7,9-10H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyDJYIAOTUAATTKM-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.32
Rot. Bonds5

About 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid

2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (PubChem CID 82740401) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
PubChem CID82740401
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
SMILESCC(=O)NC(CN(C)C1CCOC1C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7-10(4-5-17-7)13(3)6-9(11(15)16)12-8(2)14/h7,9-10H,4-6H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyDJYIAOTUAATTKM-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanamide
CID 82743952
2-acetamido-3-[cyclohexyl(methyl)amino]propanoic acid
CID 64581715
3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82719112
4-[methyl-(2-methyloxolan-3-yl)amino]-2-(propylamino)butanoic acid
CID 82743312
(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
CID 107567425
2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propanimidamide
CID 82739225
3-methyl-1-[methyl-(2-methyloxolan-3-yl)amino]butan-2-one
CID 82742069
3-[ethyl-(2-methyloxolan-3-yl)amino]-2-methylpropanoic acid
CID 82718981
1-cyclopentyl-2-[methyl-(2-methyloxolan-3-yl)amino]ethanol
CID 104753050
2-acetamido-3-[methyl-[(2-methylcyclopropyl)methyl]amino]propanoic acid
CID 64583130
2-methyl-6-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]heptanoic acid
CID 82730588
1-[methyl-(2-methyloxolan-3-yl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 82734140

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid (CID 82740401) is 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is CC(=O)NC(CN(C)C1CCOC1C)C(=O)O.
What is the InChIKey of 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
The InChIKey is DJYIAOTUAATTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-10(4-5-17-7)13(3)6-9(11(15)16)12-8(2)14/h7,9-10H,4-6H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid?
2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 82740401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).