methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate

C11H21NO2 — CID 61001229

IUPACmethyl 2-(cyclopropylmethylamino)-2-ethylbutanoate
SMILESCCC(CC)(NCC1CC1)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-11(5-2,10(13)14-3)12-8-9-6-7-9/h9,12H,4-8H2,1-3H3
InChIKeyGEVCWIYTKQPGRC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate

methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate (PubChem CID 61001229) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-2-ethylbutanoate
PubChem CID61001229
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-(cyclopropylmethylamino)-2-ethylbutanoate
SMILESCCC(CC)(NCC1CC1)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-11(5-2,10(13)14-3)12-8-9-6-7-9/h9,12H,4-8H2,1-3H3
InChIKeyGEVCWIYTKQPGRC-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylmethylamino)-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868158
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
2-ethyl-2-(oxan-4-ylmethylamino)butanoic acid
CID 78948214
2-benzyl-2-(cyclopropylmethylamino)butanoic acid
CID 79008033
methyl 2-(cyclopropylmethylamino)-4-methoxy-2,4-dimethylpentanoate
CID 54894120
methyl 2-(cyclopropylmethylamino)-2-methylnonanoate
CID 54894023
methyl 2-(4-bromophenyl)-2-(cyclopropylmethylamino)butanoate
CID 54894117
methyl 2-(cyclopropylmethylamino)-2-(4-fluorophenyl)butanoate
CID 54894019
methyl 2-(aminomethyl)-2-(cyclopropylmethyl)butanoate
CID 106489911
methyl 2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetate
CID 61001353
2-(cyclopropylmethylamino)-2-methylbutan-1-ol
CID 61054003
N-(cyclopropylmethyl)-2,2-dimethylbutanamide
CID 89142508

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate (CID 61001229) is methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate is CCC(CC)(NCC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate?
The InChIKey is GEVCWIYTKQPGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(5-2,10(13)14-3)12-8-9-6-7-9/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate?
methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-2-ethylbutanoate is sourced from PubChem (CID 61001229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).