4-(diethylamino)-2-ethoxybutanoic acid

C10H21NO3 — CID 63068058

IUPAC4-(diethylamino)-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-11(5-2)8-7-9(10(12)13)14-6-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyJAFDFFZUDKZFCZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.21
Rot. Bonds8

About 4-(diethylamino)-2-ethoxybutanoic acid

4-(diethylamino)-2-ethoxybutanoic acid (PubChem CID 63068058) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(diethylamino)-2-ethoxybutanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2-ethoxybutanoic acid
PubChem CID63068058
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-(diethylamino)-2-ethoxybutanoic acid
SMILESCCOC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C10H21NO3/c1-4-11(5-2)8-7-9(10(12)13)14-6-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyJAFDFFZUDKZFCZ-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-[2-ethoxyethyl(ethyl)amino]butanoic acid
CID 63692704
4-[bis(2-methylpropyl)amino]-2-ethoxybutanoic acid
CID 63068638
4-bromo-2-ethoxybutanoic acid
CID 174871505
4-(dibenzylamino)-2-ethoxybutanoic acid
CID 130158595
4-[cyclopropyl(ethyl)amino]-2-ethoxybutanoic acid
CID 63069124
4-[butyl(methyl)amino]-2-ethoxybutanoic acid
CID 63069285
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethoxybutanoic acid
CID 103191984
2-ethoxy-3-[ethyl(2-methylpropyl)amino]propanoic acid
CID 63068079
4-[cyclopropyl(3-methylbutyl)amino]-2-ethoxybutanoic acid
CID 78924060
2-ethoxyicosanoic acid
CID 86106777
2-ethoxy-4-(2-methylpropoxy)butanoic acid
CID 63074828
2-ethoxy-4-(2-propan-2-yloxyethoxy)butanoic acid
CID 63072762

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-ethoxybutanoic acid?
The IUPAC name of 4-(diethylamino)-2-ethoxybutanoic acid (CID 63068058) is 4-(diethylamino)-2-ethoxybutanoic acid.
What is the SMILES notation for 4-(diethylamino)-2-ethoxybutanoic acid?
The canonical SMILES for 4-(diethylamino)-2-ethoxybutanoic acid is CCOC(CCN(CC)CC)C(=O)O.
What is the InChIKey of 4-(diethylamino)-2-ethoxybutanoic acid?
The InChIKey is JAFDFFZUDKZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-4-11(5-2)8-7-9(10(12)13)14-6-3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-(diethylamino)-2-ethoxybutanoic acid?
4-(diethylamino)-2-ethoxybutanoic acid has a molecular weight of 203.28 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-ethoxybutanoic acid is sourced from PubChem (CID 63068058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).