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

C10H19NO3 — CID 82725687

IUPAC2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
SMILESCC(NC1CCOC1C)C(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(10(12)13)7(2)11-9-4-5-14-8(9)3/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeySZVANLPHCYSSAZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.86
Rot. Bonds4

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

2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid (PubChem CID 82725687) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
PubChem CID82725687
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
SMILESCC(NC1CCOC1C)C(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-6(10(12)13)7(2)11-9-4-5-14-8(9)3/h6-9,11H,4-5H2,1-3H3,(H,12,13)
InChIKeySZVANLPHCYSSAZ-UHFFFAOYSA-N
XLogP0.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid?
The IUPAC name of 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid (CID 82725687) is 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid is CC(NC1CCOC1C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid?
The InChIKey is SZVANLPHCYSSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(10(12)13)7(2)11-9-4-5-14-8(9)3/h6-9,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid?
2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid is sourced from PubChem (CID 82725687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).