2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid

C11H21NO3 — CID 79407488

IUPAC2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
SMILESCC(C(=O)O)C(C)N(C)CC1CCCO1
InChIInChI=1S/C11H21NO3/c1-8(11(13)14)9(2)12(3)7-10-5-4-6-15-10/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyGTOZIBHCBUQQAV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid

2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid (PubChem CID 79407488) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
PubChem CID79407488
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
SMILESCC(C(=O)O)C(C)N(C)CC1CCCO1
InChIInChI=1S/C11H21NO3/c1-8(11(13)14)9(2)12(3)7-10-5-4-6-15-10/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyGTOZIBHCBUQQAV-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(oxan-2-ylmethyl)amino]butanoic acid
CID 79407615
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
2-methyl-3-[methyl(oxan-2-ylmethyl)amino]-3-oxopropanoic acid
CID 114898209
1-methyl-1-(oxolan-2-ylmethyl)-3-propan-2-ylurea
CID 110749026
3-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61436226
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 79409368
2-[methyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55096980
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid (CID 79407488) is 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid is CC(C(=O)O)C(C)N(C)CC1CCCO1.
What is the InChIKey of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
The InChIKey is GTOZIBHCBUQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(11(13)14)9(2)12(3)7-10-5-4-6-15-10/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid?
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 79407488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).