2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid

C10H19NO3 — CID 78969295

IUPAC2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
SMILESCCC(C)(NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-10(2,9(12)13)11-6-8-4-5-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyASSWXCOCYKRYQY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.87
Rot. Bonds5

About 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid

2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid (PubChem CID 78969295) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
PubChem CID78969295
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
SMILESCCC(C)(NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-10(2,9(12)13)11-6-8-4-5-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyASSWXCOCYKRYQY-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(oxolan-3-ylamino)butanoic acid
CID 79789858
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
2-amino-2-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 79797743
methyl (2R)-2-cyclopropyl-2-[[(3R)-oxolan-3-yl]methylamino]propanoate
CID 97220901
N-ethyl-2,2-dimethyl-3-(oxolan-3-ylmethylamino)propanamide
CID 115888011
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
CID 78948127
3-[(oxolan-3-ylmethylamino)methyl]pentan-3-ol
CID 65105346
2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
2-methyl-2-(oxolan-3-ylamino)pentanoic acid
CID 63557368
3-methyl-N-(oxan-4-ylmethyl)pentan-3-amine
CID 115685650

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
The IUPAC name of 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid (CID 78969295) is 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid.
What is the SMILES notation for 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
The canonical SMILES for 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid is CCC(C)(NCC1CCOC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
The InChIKey is ASSWXCOCYKRYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-10(2,9(12)13)11-6-8-4-5-14-7-8/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid is sourced from PubChem (CID 78969295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).