3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid

C9H17NO3 — CID 67284908

IUPAC3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC(N)C1(C)O
InChIInChI=1S/C9H17NO3/c1-8(7(11)12)5-3-4-6(10)9(8,2)13/h6,13H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyIDMXSNMRRGQUPN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.34
Rot. Bonds1

About 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid

3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid (PubChem CID 67284908) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid
PubChem CID67284908
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC(N)C1(C)O
InChIInChI=1S/C9H17NO3/c1-8(7(11)12)5-3-4-6(10)9(8,2)13/h6,13H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyIDMXSNMRRGQUPN-UHFFFAOYSA-N
XLogP0.34
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid (CID 67284908) is 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid is CC1(C(=O)O)CCCC(N)C1(C)O.
What is the InChIKey of 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is IDMXSNMRRGQUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(7(11)12)5-3-4-6(10)9(8,2)13/h6,13H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid?
3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-1,2-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 67284908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).