2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid

C10H16N2O3 — CID 144793419

IUPAC2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)C1=C(N)CC(C)(C)C(O)C1
InChIInChI=1S/C10H16N2O3/c1-10(2)4-6(11)5(3-7(10)13)8(12)9(14)15/h7,12-13H,3-4,11H2,1-2H3,(H,14,15)/b12-8-
InChIKeyAOTIWQBVRLJBQL-WQLSENKSSA-N
MW212.25 g/mol
LogP0.48
Rot. Bonds2

About 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid

2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid (PubChem CID 144793419) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid.

Molecular Properties

Compound Name2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid
PubChem CID144793419
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid
SMILES[H]/N=C(\C(=O)O)C1=C(N)CC(C)(C)C(O)C1
InChIInChI=1S/C10H16N2O3/c1-10(2)4-6(11)5(3-7(10)13)8(12)9(14)15/h7,12-13H,3-4,11H2,1-2H3,(H,14,15)/b12-8-
InChIKeyAOTIWQBVRLJBQL-WQLSENKSSA-N
XLogP0.48
TPSA107.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-3-fluoro-6-methylphenyl)-2-iminoacetic acid
CID 155206862
2-(2-amino-4,4-dimethylcyclohexen-1-yl)-2-iminoacetaldehyde;methanol
CID 166112954
N'-amino-2-[2-amino-4-[(1S)-2-methylcyclopropyl]cyclopenten-1-yl]-2-iminoethanimidamide
CID 163779661
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid
CID 94037386
(1S,4S,7R)-1,7-dimethyl-3-oxobicyclo[2.2.1]heptane-7-carboxylic acid
CID 162953575
5-hydroxy-4,4-dimethylpiperidin-2-one
CID 136574844
3,4-dihydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 67431030
1-[(1R,5S)-3-amino-6,6-dimethyl-2-bicyclo[3.1.0]hex-2-enyl]ethanone
CID 92846372
2-imino-2-[2-(propan-2-ylamino)phenyl]acetic acid
CID 145020481
1-carbamimidoyl-4-methylpiperidine-4-carboxylic acid
CID 123572540
methyl 3-ethanimidoyl-2-hydroxy-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 135441070

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid?
The IUPAC name of 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid (CID 144793419) is 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid.
What is the SMILES notation for 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid?
The canonical SMILES for 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid is [H]/N=C(\C(=O)O)C1=C(N)CC(C)(C)C(O)C1.
What is the InChIKey of 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid?
The InChIKey is AOTIWQBVRLJBQL-WQLSENKSSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-10(2)4-6(11)5(3-7(10)13)8(12)9(14)15/h7,12-13H,3-4,11H2,1-2H3,(H,14,15)/b12-8-.
What are the key properties of 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid?
2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid has a molecular weight of 212.25 g/mol, XLogP of 0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-hydroxy-4,4-dimethylcyclohexen-1-yl)-2-iminoacetic acid is sourced from PubChem (CID 144793419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).