1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid

C8H15NO3 — CID 58481367

IUPAC1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid
SMILESCC1(O)CCC(N)(C(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-7(12)2-4-8(9,5-3-7)6(10)11/h12H,2-5,9H2,1H3,(H,10,11)
InChIKeyUAGDVUCKJXGBBJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.09
Rot. Bonds1

About 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid

1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid (PubChem CID 58481367) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid
PubChem CID58481367
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid
SMILESCC1(O)CCC(N)(C(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-7(12)2-4-8(9,5-3-7)6(10)11/h12H,2-5,9H2,1H3,(H,10,11)
InChIKeyUAGDVUCKJXGBBJ-UHFFFAOYSA-N
XLogP0.09
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid (CID 58481367) is 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid is CC1(O)CCC(N)(C(=O)O)CC1.
What is the InChIKey of 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid?
The InChIKey is UAGDVUCKJXGBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(12)2-4-8(9,5-3-7)6(10)11/h12H,2-5,9H2,1H3,(H,10,11).
What are the key properties of 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid?
1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-hydroxy-4-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 58481367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).