2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid

C6H12N2O3 — CID 131207029

IUPAC2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
SMILESCC(C)(N)CNC(=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-6(2,7)3-8-4(9)5(10)11/h3,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyCTHRPALRYVJEPC-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.08
Rot. Bonds2

About 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid

2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid (PubChem CID 131207029) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
PubChem CID131207029
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
SMILESCC(C)(N)CNC(=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-6(2,7)3-8-4(9)5(10)11/h3,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyCTHRPALRYVJEPC-UHFFFAOYSA-N
XLogP-1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.08
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

N-(2-amino-2-methylpropyl)-2-methylprop-2-enamide;2-methylprop-2-enoic acid
CID 159640819
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
2-[(4-methoxy-2,2-dimethylbutyl)amino]-2-oxoacetic acid
CID 104768994
2-(aminomethylamino)-2-oxoacetic acid
CID 117126334
2-oxo-2-(2,3,3-trimethylbutylamino)acetic acid
CID 83143356
1-(2-amino-2-methylpropyl)-3-propan-2-ylurea
CID 115303393
2-acetamido-N-(2-amino-2-methylpropyl)acetamide
CID 81482471
2-(methylaminomethylamino)-2-oxoacetic acid
CID 117126335
2-(ethylamino)-2-oxoacetic acid;hydrochloride
CID 87148402
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
N-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid (CID 131207029) is 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid is CC(C)(N)CNC(=O)C(=O)O.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid?
The InChIKey is CTHRPALRYVJEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-6(2,7)3-8-4(9)5(10)11/h3,7H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid?
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid has a molecular weight of 160.17 g/mol, XLogP of -1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 131207029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).