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

C10H19NO4 — CID 65298010

IUPAC4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCOCCCNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,9(13)14)7-8(12)11-5-4-6-15-3/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyFRDSBZZXVFERPE-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds7

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

4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65298010) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65298010
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
SMILESCOCCCNC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-10(2,9(13)14)7-8(12)11-5-4-6-15-3/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyFRDSBZZXVFERPE-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
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-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863
N-(3-methoxypropyl)-3,3-dimethylpentanamide
CID 130272308
4-(4-hydroxybutylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 106840413
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
4-[(2-methoxy-2-oxoethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302151
N-(3-methoxypropyl)-2,2-dimethylbutanamide
CID 4634900
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
N-(3-methoxypropyl)-2-[(2-methylpropan-2-yl)oxyamino]acetamide
CID 82723889
3-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106275897
4-[3-(furan-2-ylmethoxy)propylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302640
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid (CID 65298010) is 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid is COCCCNC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is FRDSBZZXVFERPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,9(13)14)7-8(12)11-5-4-6-15-3/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid?
4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65298010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).