2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid

C7H12N2O4 — CID 104767621

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
SMILESCC(C)(CNC(=O)C(=O)O)C(N)=O
InChIInChI=1S/C7H12N2O4/c1-7(2,6(8)13)3-9-4(10)5(11)12/h3H2,1-2H3,(H2,8,13)(H,9,10)(H,11,12)
InChIKeyGLMNPLNXRPUTBM-UHFFFAOYSA-N
MW188.18 g/mol
LogP-1.30
Rot. Bonds3

About 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid

2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid (PubChem CID 104767621) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
PubChem CID104767621
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
SMILESCC(C)(CNC(=O)C(=O)O)C(N)=O
InChIInChI=1S/C7H12N2O4/c1-7(2,6(8)13)3-9-4(10)5(11)12/h3H2,1-2H3,(H2,8,13)(H,9,10)(H,11,12)
InChIKeyGLMNPLNXRPUTBM-UHFFFAOYSA-N
XLogP-1.30
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 114167559
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
CID 106278948
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106277356
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid (CID 104767621) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid is CC(C)(CNC(=O)C(=O)O)C(N)=O.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid?
The InChIKey is GLMNPLNXRPUTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4/c1-7(2,6(8)13)3-9-4(10)5(11)12/h3H2,1-2H3,(H2,8,13)(H,9,10)(H,11,12).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid has a molecular weight of 188.18 g/mol, XLogP of -1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 104767621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).