2-[butyl(methyl)amino]-2-oxoacetic acid

C7H13NO3 — CID 28710534

IUPAC2-[butyl(methyl)amino]-2-oxoacetic acid
SMILESCCCCN(C)C(=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-4-5-8(2)6(9)7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyLIMLGKBCKSGQOL-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.33
Rot. Bonds3

About 2-[butyl(methyl)amino]-2-oxoacetic acid

2-[butyl(methyl)amino]-2-oxoacetic acid (PubChem CID 28710534) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-2-oxoacetic acid
PubChem CID28710534
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-[butyl(methyl)amino]-2-oxoacetic acid
SMILESCCCCN(C)C(=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-3-4-5-8(2)6(9)7(10)11/h3-5H2,1-2H3,(H,10,11)
InChIKeyLIMLGKBCKSGQOL-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
N-butyl-N-methylcarbamate
CID 23071400
hexadecyl(methyl)carbamic acid
CID 15173799
N-butyl-N-methylacetamide;ethane
CID 142088805
2-[2-ethoxyethyl(methyl)amino]-2-oxoacetic acid
CID 81061794
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
3-[butyl(methyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82813770
N-butyl-N,2-dimethylpropanamide
CID 21413636
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
N,N-dimethylbutan-1-amine;propanoic acid
CID 173099075
2-[ethyl(methyl)amino]-2-oxoacetic acid;N-methylmethanamine
CID 19887909

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[butyl(methyl)amino]-2-oxoacetic acid (CID 28710534) is 2-[butyl(methyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[butyl(methyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[butyl(methyl)amino]-2-oxoacetic acid is CCCCN(C)C(=O)C(=O)O.
What is the InChIKey of 2-[butyl(methyl)amino]-2-oxoacetic acid?
The InChIKey is LIMLGKBCKSGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-4-5-8(2)6(9)7(10)11/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-[butyl(methyl)amino]-2-oxoacetic acid?
2-[butyl(methyl)amino]-2-oxoacetic acid has a molecular weight of 159.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 28710534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).