2-[1-(aminomethyl)cyclohexyl]acetic acid

C9H17NO2 — CID 3446

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IUPAC2-[1-(aminomethyl)cyclohexyl]acetic acid
SMILESNCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChIKeyUGJMXCAKCUNAIE-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.37
Rot. Bonds3

About 2-[1-(aminomethyl)cyclohexyl]acetic acid

2-[1-(aminomethyl)cyclohexyl]acetic acid (PubChem CID 3446) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]acetic acid
PubChem CID3446
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[1-(aminomethyl)cyclohexyl]acetic acid
SMILESNCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
InChIKeyUGJMXCAKCUNAIE-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gabapentin hydrochloride
CID 6453919
Gababutin
CID 9898895
2-(1-(Aminomethyl)-3-ethylcyclopentyl)acetic acid
CID 21879702
2-(1-(Aminomethyl)-3-butylcyclopentyl)acetic acid
CID 46227565
1-(Aminomethyl)cyclohexaneacetate
CID 6919078
4-Amino-3-cyclohexylbutanoic acid
CID 3627275
2-[1-(Aminomethyl)-3-methylcyclopentyl]acetic acid
CID 9793968
2-[(1S,3R)-1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 9794482
2-((1S,3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic acid
CID 9815345
2-((1R,3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic acid
CID 9942502
1-(aminomethyl)spiro[2.5]octane-1-carboxylic Acid
CID 10103844
rac-2-((3R,5S)-1-(Aminomethyl)-3,5-dimethylcyclohexyl)acetic acid hydrochloride, AldrichCPR
CID 45260319

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]acetic acid (CID 3446) is 2-[1-(aminomethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]acetic acid is NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]acetic acid?
The InChIKey is UGJMXCAKCUNAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]acetic acid?
2-[1-(aminomethyl)cyclohexyl]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 3446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).