4-[butyl(methyl)amino]-2-ethoxybutanoic acid

C11H23NO3 — CID 63069285

IUPAC4-[butyl(methyl)amino]-2-ethoxybutanoic acid
SMILESCCCCN(C)CCC(OCC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-6-8-12(3)9-7-10(11(13)14)15-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyFCTCCPFBHRPUAJ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.60
Rot. Bonds9

About 4-[butyl(methyl)amino]-2-ethoxybutanoic acid

4-[butyl(methyl)amino]-2-ethoxybutanoic acid (PubChem CID 63069285) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 4-[butyl(methyl)amino]-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-[butyl(methyl)amino]-2-ethoxybutanoic acid
PubChem CID63069285
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name4-[butyl(methyl)amino]-2-ethoxybutanoic acid
SMILESCCCCN(C)CCC(OCC)C(=O)O
InChIInChI=1S/C11H23NO3/c1-4-6-8-12(3)9-7-10(11(13)14)15-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyFCTCCPFBHRPUAJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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-ethoxyicosanoic acid
CID 86106777
4-(diethylamino)-2-ethoxybutanoic acid
CID 63068058
2-ethoxy-4-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
CID 63067599
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-ethoxybutanoic acid
CID 63685554
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
2-ethoxy-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]butanoic acid
CID 63234287
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[(2-bromophenyl)methyl-methylamino]-2-ethoxybutanoic acid
CID 55148053
2-(methylamino)-4-[methyl(pentyl)amino]butanoic acid
CID 63029021
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
4-bromo-2-ethoxybutanoic acid
CID 174871505

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)amino]-2-ethoxybutanoic acid?
The IUPAC name of 4-[butyl(methyl)amino]-2-ethoxybutanoic acid (CID 63069285) is 4-[butyl(methyl)amino]-2-ethoxybutanoic acid.
What is the SMILES notation for 4-[butyl(methyl)amino]-2-ethoxybutanoic acid?
The canonical SMILES for 4-[butyl(methyl)amino]-2-ethoxybutanoic acid is CCCCN(C)CCC(OCC)C(=O)O.
What is the InChIKey of 4-[butyl(methyl)amino]-2-ethoxybutanoic acid?
The InChIKey is FCTCCPFBHRPUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-8-12(3)9-7-10(11(13)14)15-5-2/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 4-[butyl(methyl)amino]-2-ethoxybutanoic acid?
4-[butyl(methyl)amino]-2-ethoxybutanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)amino]-2-ethoxybutanoic acid is sourced from PubChem (CID 63069285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).