4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid

C10H19NO3 — CID 105453591

IUPAC4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCN(C)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-11(2)7-10(14)5-3-8(4-6-10)9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyMAKLYYTXGCYDCS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds3

About 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid

4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 105453591) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID105453591
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
SMILESCN(C)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-11(2)7-10(14)5-3-8(4-6-10)9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13)
InChIKeyMAKLYYTXGCYDCS-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid (CID 105453591) is 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid is CN(C)CC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is MAKLYYTXGCYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-11(2)7-10(14)5-3-8(4-6-10)9(12)13/h8,14H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid?
4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 105453591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).