2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid

C11H23NO3 — CID 61484904

IUPAC2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
SMILESCCC(C)N(CCOC(C)C)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-5-10(4)12(8-11(13)14)6-7-15-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBXNMVFGDOVHGLH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds8

About 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid

2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid (PubChem CID 61484904) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
PubChem CID61484904
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid
SMILESCCC(C)N(CCOC(C)C)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-5-10(4)12(8-11(13)14)6-7-15-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBXNMVFGDOVHGLH-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-propan-2-yloxyethyl)amino]acetic acid
CID 157202089
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[(3-amino-3-oxopropyl)-butan-2-ylamino]acetic acid
CID 60833263
2-[butan-2-yl-[2-(4-methoxyphenoxy)ethyl]amino]acetic acid
CID 60833895
2-[2-hydroxyprop-2-enyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 161235975
2-[2-hydroxyethyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 122500414
2-[butan-2-yl(2-methylpropyl)amino]acetic acid
CID 60835163
2-[2-acetamidoethyl(butan-2-yl)amino]acetic acid
CID 60832957
2-[2-propan-2-yloxyethyl(prop-2-enyl)amino]acetic acid
CID 79277607
2-[butan-2-yl-[2-(2,4-dichlorophenoxy)ethyl]amino]acetic acid
CID 60833285
2-[butan-2-yl-[2-[di(propan-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 54925680

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid (CID 61484904) is 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid is CCC(C)N(CCOC(C)C)CC(=O)O.
What is the InChIKey of 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid?
The InChIKey is BXNMVFGDOVHGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-10(4)12(8-11(13)14)6-7-15-9(2)3/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid?
2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-propan-2-yloxyethyl)amino]acetic acid is sourced from PubChem (CID 61484904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).