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

C10H19NO3 — CID 61313229

IUPAC3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
SMILESCC(C)C(NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(2)9(10(12)13)11-5-8-3-4-14-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyAFHGYLQADVQXEV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.72
Rot. Bonds5

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

3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid (PubChem CID 61313229) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
PubChem CID61313229
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
SMILESCC(C)C(NCC1CCOC1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-7(2)9(10(12)13)11-5-8-3-4-14-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyAFHGYLQADVQXEV-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(oxolan-3-ylmethylamino)butanoic acid
CID 64668954
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
4-methyl-3-(oxolan-3-ylmethylamino)pentan-1-ol
CID 115887731
N,N-diethyl-2-(oxolan-3-ylmethylamino)propanamide
CID 43433587
2-(aminomethyl)-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 62822757
N,N-dimethyl-3-(oxolan-3-ylmethylamino)butanamide
CID 115712358
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
(2S)-2-amino-3-methyl-N-(oxolan-3-ylmethyl)butanamide
CID 61179026
1-methylsulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 134457089
N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
N-(oxolan-3-ylmethyl)but-3-en-2-amine
CID 115887872
methyl 3-methyl-2-(oxan-3-ylmethylamino)pentanoate
CID 63739850

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid (CID 61313229) is 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid is CC(C)C(NCC1CCOC1)C(=O)O.
What is the InChIKey of 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
The InChIKey is AFHGYLQADVQXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)9(10(12)13)11-5-8-3-4-14-6-8/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid?
3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(oxolan-3-ylmethylamino)butanoic acid is sourced from PubChem (CID 61313229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).