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

C7H13NO3 — CID 58147597

IUPAC2-[tert-butyl(methyl)amino]-2-oxoacetic acid
SMILESCN(C(=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C7H13NO3/c1-7(2,3)8(4)5(9)6(10)11/h1-4H3,(H,10,11)
InChIKeyWGWURZYGVHKWIV-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.33
Rot. Bonds

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

2-[tert-butyl(methyl)amino]-2-oxoacetic acid (PubChem CID 58147597) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[tert-butyl(methyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[tert-butyl(methyl)amino]-2-oxoacetic acid
PubChem CID58147597
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[tert-butyl(methyl)amino]-2-oxoacetic acid
SMILESCN(C(=O)C(=O)O)C(C)(C)C
InChIInChI=1S/C7H13NO3/c1-7(2,3)8(4)5(9)6(10)11/h1-4H3,(H,10,11)
InChIKeyWGWURZYGVHKWIV-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
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

(Diethylamino)(oxo)acetic acid
CID 4180752
2-methyl-2-(N-methylacetamido)propanoic acid
CID 23279431
N,N-di-isopropyloxamic acid
CID 10910050
2-[N-(propan-2-yl)acetamido]acetic acid
CID 13930744
Oxalic acid dipropylamide
CID 19746228
N-ethyl-N-n-propyloxamic acid
CID 14801248
2-[Ethyl(2-methylpropyl)amino]-2-oxoacetic acid
CID 19746229
2-[Ethyl(propan-2-yl)amino]-2-oxoacetic acid
CID 19746236
2-(N-tert-butylformamido)acetic acid
CID 19845459
monoethyl N-methyloxalamic acid
CID 19887910
2-[Methyl(propan-2-yl)amino]-2-oxoacetic acid
CID 43444911
2-[Tert-butyl(chloro)amino]-2-oxoacetic acid
CID 54307798

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(methyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[tert-butyl(methyl)amino]-2-oxoacetic acid (CID 58147597) is 2-[tert-butyl(methyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[tert-butyl(methyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[tert-butyl(methyl)amino]-2-oxoacetic acid is CN(C(=O)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(methyl)amino]-2-oxoacetic acid?
The InChIKey is WGWURZYGVHKWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2,3)8(4)5(9)6(10)11/h1-4H3,(H,10,11).
What are the key properties of 2-[tert-butyl(methyl)amino]-2-oxoacetic acid?
2-[tert-butyl(methyl)amino]-2-oxoacetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(methyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 58147597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).