2-(tert-butylamino)-2-oxoacetic acid

C6H11NO3 — CID 5187990

IUPAC2-(tert-butylamino)-2-oxoacetic acid
SMILESCC(C)(C)NC(=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2,3)7-4(8)5(9)10/h1-3H3,(H,7,8)(H,9,10)
InChIKeyBPCATNGVUSFCNY-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.01
Rot. Bonds

About 2-(tert-butylamino)-2-oxoacetic acid

2-(tert-butylamino)-2-oxoacetic acid (PubChem CID 5187990) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-2-oxoacetic acid
PubChem CID5187990
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(tert-butylamino)-2-oxoacetic acid
SMILESCC(C)(C)NC(=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-6(2,3)7-4(8)5(9)10/h1-3H3,(H,7,8)(H,9,10)
InChIKeyBPCATNGVUSFCNY-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-cyanopropan-2-ylamino)-2-oxoacetic acid
CID 82280208
N'-tert-butyloxamide;tetraethylazanium
CID 88691963
N-tert-butyl-2-oxo-2-phenylacetamide
CID 10965642
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
tert-butylcarbamothioic S-acid
CID 10394051
tert-butylcarbamic acid;piperazine
CID 70137961
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
(3E)-1-tert-butyl-3-(tert-butylcarbamoylimino)urea
CID 15192420
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
N-tert-butyl-4-methyl-2-methylidenepentanamide
CID 135061980
N,N'-ditert-butyl-N'-dimethylboranyloxamide
CID 134920383
CID 23432821
CID 23432821

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-oxoacetic acid?
The IUPAC name of 2-(tert-butylamino)-2-oxoacetic acid (CID 5187990) is 2-(tert-butylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(tert-butylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(tert-butylamino)-2-oxoacetic acid is CC(C)(C)NC(=O)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-2-oxoacetic acid?
The InChIKey is BPCATNGVUSFCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-6(2,3)7-4(8)5(9)10/h1-3H3,(H,7,8)(H,9,10).
What are the key properties of 2-(tert-butylamino)-2-oxoacetic acid?
2-(tert-butylamino)-2-oxoacetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-oxoacetic acid is sourced from PubChem (CID 5187990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).