2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid

C11H21NO2 — CID 114987675

IUPAC2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid
SMILESCCCCN(C)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-5-8-12(3)11(2,10(13)14)9-6-7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOEMXFAUNUZBJAO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid

2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid (PubChem CID 114987675) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid
PubChem CID114987675
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid
SMILESCCCCN(C)C(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-5-8-12(3)11(2,10(13)14)9-6-7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOEMXFAUNUZBJAO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[methyl(propyl)amino]propanoic acid
CID 114988948
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
2-cyclopropyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanoic acid
CID 114990051
2-amino-2-cyclopropyl-3-[methyl(pentyl)amino]propanoic acid
CID 63910898
2-cyclopropyl-2-methyltetradecanoic acid
CID 83147793
2-[cycloheptyl(methyl)amino]-2-cyclopropylpropanoic acid
CID 114994706
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813770
2,2-dicyclopropylbutanoic acid
CID 139618787
4-tert-butyl-2-[butyl(cyclopropyl)amino]cyclohexane-1-carboxylic acid
CID 63067972
2,4-dimethyl-2-[methyl(pentyl)amino]pentanoic acid
CID 114990864
2-[4-hydroxybutyl(methyl)amino]-2-methylpropanoic acid
CID 62817674
4-[2-(2-butoxyethoxy)ethoxy]-2-cyclopropyl-2-methylbutanoic acid
CID 104565072

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid?
The IUPAC name of 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid (CID 114987675) is 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid is CCCCN(C)C(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid?
The InChIKey is OEMXFAUNUZBJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-8-12(3)11(2,10(13)14)9-6-7-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid?
2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-2-cyclopropylpropanoic acid is sourced from PubChem (CID 114987675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).