4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid

C10H21NO4 — CID 114998801

IUPAC4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
SMILESCOCCCNC(C)(CCOC)C(=O)O
InChIInChI=1S/C10H21NO4/c1-10(9(12)13,5-8-15-3)11-6-4-7-14-2/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyWCABIXMNZUCONR-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.49
Rot. Bonds9

About 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid

4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid (PubChem CID 114998801) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
PubChem CID114998801
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
SMILESCOCCCNC(C)(CCOC)C(=O)O
InChIInChI=1S/C10H21NO4/c1-10(9(12)13,5-8-15-3)11-6-4-7-14-2/h11H,4-8H2,1-3H3,(H,12,13)
InChIKeyWCABIXMNZUCONR-UHFFFAOYSA-N
XLogP0.49
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2-(2-cyclopentylethylamino)-4-methoxy-2-methylbutanoic acid
CID 115001166
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
2-[3-(2-methoxyethoxy)propylamino]-2-methylpropanoic acid
CID 103410896
3-(3-methoxypropylsulfanyl)-2-methyl-2-(propylamino)propanoic acid
CID 63855971
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
2-(ethylamino)-5-[2-(3-methoxypropoxy)ethoxy]-2-methylpentanoic acid
CID 103179851
2-[(4-amino-4-oxobutyl)amino]-3-methoxy-2-methylpropanoic acid
CID 114999223
3,3,3-trifluoro-2-(4-methoxybutylamino)-2-methylpropanoic acid
CID 104648495
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
CID 102722825
4-methoxy-2-methyl-2-(4-methylpentan-2-ylamino)butanoic acid
CID 115000588

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid?
The IUPAC name of 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid (CID 114998801) is 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid is COCCCNC(C)(CCOC)C(=O)O.
What is the InChIKey of 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid?
The InChIKey is WCABIXMNZUCONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-10(9(12)13,5-8-15-3)11-6-4-7-14-2/h11H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid?
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid is sourced from PubChem (CID 114998801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).