3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid

C10H19NO3 — CID 82813770

IUPAC3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCCCCN(C)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-6-7-11(4)8(12)10(2,3)9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyRRSWOXOJUAVXQZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.36
Rot. Bonds5

About 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid

3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid (PubChem CID 82813770) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
PubChem CID82813770
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
SMILESCCCCN(C)C(=O)C(C)(C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-5-6-7-11(4)8(12)10(2,3)9(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyRRSWOXOJUAVXQZ-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-cyanoethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821162
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873
3-[2-cyclopentylethyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 115164079
2-[butyl(methyl)amino]-2-oxoacetic acid
CID 28710534
2-amino-N,2-dimethyl-N-pentylpentanamide
CID 60848756
2-[butyl(methyl)amino]-2-methylbutanoic acid
CID 114988987
N-butyl-N,2,2-trimethyl-N'-(4-propan-2-ylphenyl)propanediamide
CID 108966504
N-butyl-N-methylcarbamate
CID 23071400
N-butyl-N-methylacetamide;ethane
CID 142088805
N-[3-(dimethylamino)propyl]-N,2,2-trimethyloctanamide
CID 174259846
amino N-butyl-N-methylcarbamate
CID 143838747
N-butyl-N'-(2-ethyl-6-methylphenyl)-N,2,2-trimethylpropanediamide
CID 108966502

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The IUPAC name of 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid (CID 82813770) is 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The canonical SMILES for 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid is CCCCN(C)C(=O)C(C)(C)C(=O)O.
What is the InChIKey of 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
The InChIKey is RRSWOXOJUAVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-7-11(4)8(12)10(2,3)9(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid?
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid is sourced from PubChem (CID 82813770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).