2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid

C11H21NO3 — CID 65162256

IUPAC2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCC1CCCO1
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14)12(2)7-6-9-5-4-8-15-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyGOBRZQHTPPZZOR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid

2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid (PubChem CID 65162256) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
PubChem CID65162256
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid
SMILESCCC(C(=O)O)N(C)CCC1CCCO1
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14)12(2)7-6-9-5-4-8-15-9/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyGOBRZQHTPPZZOR-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(oxolan-2-yl)acetyl]amino]butanoic acid
CID 65156846
2-[butan-2-yl-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65161777
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
2-[methyl(oxolan-2-ylmethyl)amino]-1-phenylbutan-1-one
CID 61432396
3-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanethioamide
CID 65161267
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
2-[butan-2-yl-[3-(oxolan-2-yl)propyl]amino]acetic acid
CID 65161725
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
2-methyl-3-[methyl(oxolan-2-ylmethyl)amino]butanoic acid
CID 79407488
2-[ethyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 83041808
2,3-dimethyl-5-(oxolan-2-yl)pentanoic acid
CID 81008948

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid?
The IUPAC name of 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid (CID 65162256) is 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid.
What is the SMILES notation for 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid?
The canonical SMILES for 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid is CCC(C(=O)O)N(C)CCC1CCCO1.
What is the InChIKey of 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid?
The InChIKey is GOBRZQHTPPZZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(11(13)14)12(2)7-6-9-5-4-8-15-9/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid?
2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(oxolan-2-yl)ethyl]amino]butanoic acid is sourced from PubChem (CID 65162256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).