2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid

C12H20N2O5 — CID 57090701

IUPAC2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid
SMILESCN(CC(=O)NO)C(=O)C1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(11(17)18)6-4-3-5-8(12)10(16)14(2)7-9(15)13-19/h8,19H,3-7H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyPGOGEIWHDZYRQJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.23
Rot. Bonds4

About 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid

2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid (PubChem CID 57090701) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid
PubChem CID57090701
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid
SMILESCN(CC(=O)NO)C(=O)C1CCCCC1(C)C(=O)O
InChIInChI=1S/C12H20N2O5/c1-12(11(17)18)6-4-3-5-8(12)10(16)14(2)7-9(15)13-19/h8,19H,3-7H2,1-2H3,(H,13,15)(H,17,18)
InChIKeyPGOGEIWHDZYRQJ-UHFFFAOYSA-N
XLogP0.23
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid (CID 57090701) is 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid is CN(CC(=O)NO)C(=O)C1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid?
The InChIKey is PGOGEIWHDZYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-12(11(17)18)6-4-3-5-8(12)10(16)14(2)7-9(15)13-19/h8,19H,3-7H2,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid?
2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxyamino)-2-oxoethyl]-methylcarbamoyl]-1-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 57090701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).