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

C9H18ClNO2 — CID 6453919

IUPAC2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChIKeyXBUDZAQEMFGLEU-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.79
Rot. Bonds3

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

2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride (PubChem CID 6453919) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
PubChem CID6453919
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride
SMILESCl.NCC1(CC(=O)O)CCCCC1
InChIInChI=1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H
InChIKeyXBUDZAQEMFGLEU-UHFFFAOYSA-N
XLogP1.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gabapentin
CID 3446
1-(Aminomethyl)cyclohexaneacetate
CID 6919078
Gababutin
CID 9898895
2-(1-(Aminomethyl)-3-ethylcyclopentyl)acetic acid
CID 21879702
2-(1-(Aminomethyl)-3-butylcyclopentyl)acetic acid
CID 46227565
4-Amino-3-cyclohexylbutanoic acid
CID 3627275
2-[(1S,3R)-1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 9794482
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
2-[1-(Aminomethyl)-4-methylcyclohexyl]acetic acid;hydrochloride
CID 45264293
2-[1-(Aminomethyl)-3,3-dimethylcyclohexyl]acetic acid;hydrochloride
CID 45264435
2-[1-(Aminomethyl)-4-ethylcyclohexyl]acetic acid;hydrochloride
CID 45264488

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride (CID 6453919) is 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride is Cl.NCC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride?
The InChIKey is XBUDZAQEMFGLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride?
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 6453919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).