2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid

C12H23NO2 — CID 122128509

IUPAC2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(C)C1CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-4-12(5-2,11(14)15)8-13-9(3)10-6-7-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyZNPHPOKLABEHNW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds7

About 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid

2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid (PubChem CID 122128509) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid
PubChem CID122128509
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(C)C1CC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-4-12(5-2,11(14)15)8-13-9(3)10-6-7-10/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyZNPHPOKLABEHNW-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid
CID 122128505
2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
CID 122128335
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
3-(1-cyclopropylethylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 119145626
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
2-ethyl-2-[[(2-propan-2-yloxyacetyl)amino]methyl]butanoic acid
CID 112555185
2-ethyl-2-[[(4-methylcyclohexyl)methylamino]methyl]butanoic acid
CID 122128807
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
N-(1-cyclopropylethyl)-2-ethoxy-2-methylpropan-1-amine
CID 114941463
4-(cyclopropylamino)-2,2-diethyl-4-oxobutanoic acid
CID 43529328

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid (CID 122128509) is 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(C)C1CC1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid?
The InChIKey is ZNPHPOKLABEHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-12(5-2,11(14)15)8-13-9(3)10-6-7-10/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid?
2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 122128509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).