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

C8H15N3O5 — CID 106278948

IUPAC2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
SMILESCC(C)(CNC(=O)NOCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O5/c1-8(2,6(9)14)4-10-7(15)11-16-3-5(12)13/h3-4H2,1-2H3,(H2,9,14)(H,12,13)(H2,10,11,15)
InChIKeyOOCBLYSQMXUKBH-UHFFFAOYSA-N
MW233.22 g/mol
LogP-1.19
Rot. Bonds6

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

2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid (PubChem CID 106278948) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
PubChem CID106278948
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
SMILESCC(C)(CNC(=O)NOCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O5/c1-8(2,6(9)14)4-10-7(15)11-16-3-5(12)13/h3-4H2,1-2H3,(H2,9,14)(H,12,13)(H2,10,11,15)
InChIKeyOOCBLYSQMXUKBH-UHFFFAOYSA-N
XLogP-1.19
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
CID 113498388
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
CID 53397461
(2S)-3-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-2-hydroxypropanoic acid
CID 106279144
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]pentanoic acid
CID 114167594
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]-5-methylhexanoic acid
CID 106279290
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2-dimethylpropanamide
CID 103809518
2-(2,2-diethoxyethylcarbamoylamino)oxyacetic acid
CID 91667036

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid?
The IUPAC name of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid (CID 106278948) is 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid.
What is the SMILES notation for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid?
The canonical SMILES for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid is CC(C)(CNC(=O)NOCC(=O)O)C(N)=O.
What is the InChIKey of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid?
The InChIKey is OOCBLYSQMXUKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-8(2,6(9)14)4-10-7(15)11-16-3-5(12)13/h3-4H2,1-2H3,(H2,9,14)(H,12,13)(H2,10,11,15).
What are the key properties of 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid?
2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid has a molecular weight of 233.22 g/mol, XLogP of -1.19, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid is sourced from PubChem (CID 106278948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).