4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid

C10H19NO3 — CID 105453592

IUPAC4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCNCC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-2-11-7-10(14)5-3-8(4-6-10)9(12)13/h8,11,14H,2-7H2,1H3,(H,12,13)
InChIKeyMSDMYZDJRFJMJD-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds4

About 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid

4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid (PubChem CID 105453592) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid
PubChem CID105453592
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid
SMILESCCNCC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C10H19NO3/c1-2-11-7-10(14)5-3-8(4-6-10)9(12)13/h8,11,14H,2-7H2,1H3,(H,12,13)
InChIKeyMSDMYZDJRFJMJD-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-4-[(trifluoromethylamino)methyl]cyclohexane-1-carboxylic acid
CID 105502684
Ethyl 4-hydroxy-4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclohexane-1-carboxylate
CID 105647991
Ethyl 4-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 105648104
4-[[2-(2,2-Difluoroethoxy)ethylamino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 105917464
Ethyl 4-[[2-(2,2-difluoroethoxy)ethylamino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 105917466
Ethyl 4-hydroxy-4-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclohexane-1-carboxylate
CID 105942340
4-[[(2,2-Difluoro-3-hydroxypropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106178227
Ethyl 4-hydroxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexane-1-carboxylate
CID 106294385
4-Hydroxy-4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]cyclohexane-1-carboxylic acid
CID 106430090
4-Hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498480
4-Hydroxy-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498647
4-Hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498760

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid (CID 105453592) is 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid is CCNCC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid?
The InChIKey is MSDMYZDJRFJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-11-7-10(14)5-3-8(4-6-10)9(12)13/h8,11,14H,2-7H2,1H3,(H,12,13).
What are the key properties of 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid?
4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-4-hydroxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 105453592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).