2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid

C10H19NO4 — CID 119187574

IUPAC2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
SMILESCCCCOCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-5-6-15-7-8(12)11-10(2,3)9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLDUHAUXYBKXMND-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds7

About 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid

2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid (PubChem CID 119187574) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
PubChem CID119187574
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid
SMILESCCCCOCC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-5-6-15-7-8(12)11-10(2,3)9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyLDUHAUXYBKXMND-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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

2-methyl-2-[[2-(2-phenylethoxy)acetyl]amino]propanoic acid
CID 119187691
2-[(2-pentoxyacetyl)amino]-2-phenylpropanoic acid
CID 66656181
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
N-(1-amino-2,4-dimethylpentan-2-yl)-2-butoxyacetamide
CID 119598279
4-[2-(2-butoxyethoxy)ethoxy]-2,2-dimethylbutanoic acid
CID 104565005
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pentoxyacetamide;hydrochloride
CID 119605723
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-propoxyacetamide
CID 107940494
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-propoxyacetamide
CID 103933314
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-[[2-(2-aminoethoxy)acetyl]amino]-2-methylpentanoic acid
CID 79473096
2-butoxy-N-[1-(2-methylpropoxy)-2-(2-methylpropoxymethyl)-3-propoxypropan-2-yl]acetamide
CID 167448031
2-(3-ethylpentanoylamino)-2-methylpropanoic acid
CID 120516010

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid (CID 119187574) is 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid is CCCCOCC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid?
The InChIKey is LDUHAUXYBKXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-5-6-15-7-8(12)11-10(2,3)9(13)14/h4-7H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid?
2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxyacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 119187574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).