4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid

C11H21NO4 — CID 65297863

IUPAC4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCCOCCCNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-16-7-5-6-12-9(13)8-11(2,3)10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyMEDKUVHUBUQUMR-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.03
Rot. Bonds8

About 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid

4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65297863) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65297863
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCCOCCCNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO4/c1-4-16-7-5-6-12-9(13)8-11(2,3)10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyMEDKUVHUBUQUMR-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65298010
3-(3-ethoxypropylamino)-2,2-dimethylpropanoic acid
CID 79629719
3-(3-ethoxypropylamino)-3-oxopropanoic acid
CID 62232046
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413
N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
2,2-dimethyl-4-oxo-4-(2-propan-2-yloxyethylamino)butanoic acid
CID 104759067
4-(2-aminoethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65302363
2-methyl-4-oxo-2-propan-2-yl-4-(3-propoxypropylamino)butanoic acid
CID 82940325
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
N'-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-N-(3-ethoxypropyl)pentanediamide
CID 88902416

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65297863) is 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid is CCOCCCNC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is MEDKUVHUBUQUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-16-7-5-6-12-9(13)8-11(2,3)10(14)15/h4-8H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65297863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).