2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid

C11H21NO3 — CID 60835003

IUPAC2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC1CCCO1
InChIInChI=1S/C11H21NO3/c1-3-9(2)12(8-11(13)14)7-10-5-4-6-15-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyIMNYQODWOJXAIG-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds6

About 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid

2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid (PubChem CID 60835003) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid
PubChem CID60835003
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)CC1CCCO1
InChIInChI=1S/C11H21NO3/c1-3-9(2)12(8-11(13)14)7-10-5-4-6-15-10/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyIMNYQODWOJXAIG-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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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid (CID 60835003) is 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid is CCC(C)N(CC(=O)O)CC1CCCO1.
What is the InChIKey of 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid?
The InChIKey is IMNYQODWOJXAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(2)12(8-11(13)14)7-10-5-4-6-15-10/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid?
2-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic 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-[butan-2-yl(oxolan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 60835003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).