2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid

C11H21NO2 — CID 114987688

IUPAC2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N(C)CC1CC1
InChIInChI=1S/C11H21NO2/c1-4-11(5-2,10(13)14)12(3)8-9-6-7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyWYLHFLMUOMNPJD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds6

About 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid

2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid (PubChem CID 114987688) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
PubChem CID114987688
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N(C)CC1CC1
InChIInChI=1S/C11H21NO2/c1-4-11(5-2,10(13)14)12(3)8-9-6-7-9/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyWYLHFLMUOMNPJD-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-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
CID 114996932
2-[cyclopropylmethyl(propyl)amino]-2-ethylbutanoic acid
CID 114988470
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
CID 166239327
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081
2-[[4-[[4-[1,2-dicarboxybutan-2-yl(ethyl)amino]cyclohexyl]methyl]cyclohexyl]-ethylamino]-2-ethylbutanedioic acid
CID 138469893
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
[4-(2-hydroxyethyl)cyclohexyl]methyl-methylcarbamic acid
CID 22310808
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid (CID 114987688) is 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid is CCC(CC)(C(=O)O)N(C)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid?
The InChIKey is WYLHFLMUOMNPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(5-2,10(13)14)12(3)8-9-6-7-9/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid?
2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic 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-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 114987688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).