4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride

C7H14ClNO3 — CID 66728658

IUPAC4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C7H13NO3.ClH/c8-5-1-3-7(11,4-2-5)6(9)10;/h5,11H,1-4,8H2,(H,9,10);1H
InChIKeyLCIHPZLLPJHSOA-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.13
Rot. Bonds1

About 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride

4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 66728658) has the molecular formula C7H14ClNO3 and a molecular weight of 195.65 g/mol. Its IUPAC name is 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride
PubChem CID66728658
Molecular FormulaC7H14ClNO3
Molecular Weight195.65 g/mol
Exact Mass195.07
IUPAC Name4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.NC1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C7H13NO3.ClH/c8-5-1-3-7(11,4-2-5)6(9)10;/h5,11H,1-4,8H2,(H,9,10);1H
InChIKeyLCIHPZLLPJHSOA-UHFFFAOYSA-N
XLogP0.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-fluorocyclohexane-1-carboxylic acid
CID 71757909
carbonic acid;cyclopropanamine
CID 70000861
(3R)-3-aminocyclopentane-1,1-dicarboxylic acid
CID 54063246
1-hydroxy-4-pentylcyclohexane-1-carboxylic acid
CID 118325551
1-hydroxy-3-methylcyclopentane-1-carboxylic acid
CID 43142852
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
6-aminospiro[2.5]octane-2-carboxylic acid
CID 84653499
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
4-tert-butyl-1-hydroxycycloheptane-1-carboxylic acid
CID 65095145
4-amino-1-(aminomethyl)cyclohexan-1-ol
CID 105428674
1-cycloheptyl-4-hydroxypiperidine-4-carboxylic acid
CID 115055583
cis-(1R,3R)-3-amino-1-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 124633428

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride (CID 66728658) is 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride is Cl.NC1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is LCIHPZLLPJHSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.ClH/c8-5-1-3-7(11,4-2-5)6(9)10;/h5,11H,1-4,8H2,(H,9,10);1H.
What are the key properties of 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride?
4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.13, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-hydroxycyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 66728658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).