4-(aminomethyl)cyclohexane-1-carboxylic acid

C8H15NO2 — CID 5526

IUPAC4-(aminomethyl)cyclohexane-1-carboxylic acid
SMILESNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
InChIKeyGYDJEQRTZSCIOI-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.84
Rot. Bonds2

About 4-(aminomethyl)cyclohexane-1-carboxylic acid

4-(aminomethyl)cyclohexane-1-carboxylic acid (PubChem CID 5526) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-(aminomethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)cyclohexane-1-carboxylic acid
PubChem CID5526
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-(aminomethyl)cyclohexane-1-carboxylic acid
SMILESNCC1CCC(C(=O)O)CC1
InChIInChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)
InChIKeyGYDJEQRTZSCIOI-UHFFFAOYSA-N
XLogP0.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclohexyl-L-alanine
CID 712421
(alphaS)-alpha-Aminocyclohexaneacetic acid
CID 736848
3-Aminocyclohexanecarboxylic acid
CID 544887
5-Cyclohexylnorvaline
CID 224404
(2R)-2-amino-3-cyclohexylpropanoic acid
CID 736026
beta-Aminocyclohexanepropanoic acid
CID 2733681
4-Amino-3-cyclohexylbutanoic acid
CID 3627275
(1S,2S)-2-Aminocyclohexanecarboxylic Acid
CID 7128323
Cyclohexylalanine
CID 95475
Cyclohexylglycine, (+-)-
CID 224391
Cyclohexylglycine, (R)-
CID 736849
trans-2-Aminocyclohexanecarboxylic acid
CID 2724640

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)cyclohexane-1-carboxylic acid (CID 5526) is 4-(aminomethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)cyclohexane-1-carboxylic acid is NCC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)cyclohexane-1-carboxylic acid?
The InChIKey is GYDJEQRTZSCIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11).
What are the key properties of 4-(aminomethyl)cyclohexane-1-carboxylic acid?
4-(aminomethyl)cyclohexane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 5526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).