2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid

C12H24N2O4 — CID 113498388

IUPAC2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
SMILESCCCCCC(C)(C)CNC(=O)NOCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-5-6-7-12(2,3)9-13-11(17)14-18-8-10(15)16/h4-9H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyYAARREYPYVIGQY-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.91
Rot. Bonds9

About 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid

2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid (PubChem CID 113498388) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
PubChem CID113498388
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid
SMILESCCCCCC(C)(C)CNC(=O)NOCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-5-6-7-12(2,3)9-13-11(17)14-18-8-10(15)16/h4-9H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyYAARREYPYVIGQY-UHFFFAOYSA-N
XLogP1.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]oxyacetic acid
CID 106278948
2-(ethylcarbamoylamino)oxyacetic acid
CID 53397416
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605551
(2R)-2-(2,2-dimethylheptylcarbamoylamino)pentanoic acid
CID 107567309
2-(2-methylheptan-2-ylperoxycarbonyloxy)acetic acid
CID 22750591
2-(heptanoylamino)oxyacetic acid
CID 63915342
3,3-dimethyloctanoic acid
CID 20501381
4-amino-N-(2,2-dimethylheptyl)-2-methylbutanamide
CID 80544365
3,3-dimethylnonanoic acid
CID 5282685
3-(aminomethyl)-N-(2,2-dimethylheptyl)pentanamide
CID 81080690
2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]carbamoylamino]oxyacetic acid
CID 53397461
methyl 2-(2,2-dimethylheptylamino)butanoate
CID 113292642

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid?
The IUPAC name of 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid (CID 113498388) is 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid.
What is the SMILES notation for 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid?
The canonical SMILES for 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid is CCCCCC(C)(C)CNC(=O)NOCC(=O)O.
What is the InChIKey of 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid?
The InChIKey is YAARREYPYVIGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-5-6-7-12(2,3)9-13-11(17)14-18-8-10(15)16/h4-9H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid?
2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid has a molecular weight of 260.33 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylheptylcarbamoylamino)oxyacetic acid is sourced from PubChem (CID 113498388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).