1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride

C6H12ClNO3 — CID 105439814

IUPAC1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC(CO)C1
InChIInChI=1S/C6H11NO3.ClH/c7-6(5(9)10)1-4(2-6)3-8;/h4,8H,1-3,7H2,(H,9,10);1H
InChIKeySBEQUKZKPGRUFS-UHFFFAOYSA-N
MW181.62 g/mol
LogP-0.41
Rot. Bonds2

About 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride

1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 105439814) has the molecular formula C6H12ClNO3 and a molecular weight of 181.62 g/mol. Its IUPAC name is 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
PubChem CID105439814
Molecular FormulaC6H12ClNO3
Molecular Weight181.62 g/mol
Exact Mass181.05
IUPAC Name1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC(CO)C1
InChIInChI=1S/C6H11NO3.ClH/c7-6(5(9)10)1-4(2-6)3-8;/h4,8H,1-3,7H2,(H,9,10);1H
InChIKeySBEQUKZKPGRUFS-UHFFFAOYSA-N
XLogP-0.41
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.62
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-aminocyclopentane-1,2,4-tricarboxylic acid
CID 4302961
trans-(3R,4R)-1-amino-3,4-dimethoxycyclopentane-1-carboxylic acid
CID 102274744
1-amino-3-(chloromethyl)-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 73424917
2-amino-1,3,3a,4,5,6,7,7a-octahydroindene-2-carboxylic acid
CID 83906747
(3R)-1-amino-3-[(dimethylamino)methyl]-5-methylcyclohexane-1-carboxylic acid
CID 155106665
(5R)-1-amino-3-(aminomethyl)-5-(2-boronoethyl)cyclohexane-1-carboxylic acid
CID 145395412
3-amino-5-(2-boronoethyl)-1-methylpiperidine-3-carboxylic acid;dihydrochloride
CID 162327453
(1S,3R,4R)-1-amino-3-fluoro-4-hydroxycyclopentane-1-carboxylic acid
CID 168753065
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
4-aminopiperidine-4-carboxylic acid;dihydrochloride
CID 22907088
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
1-amino-4-[hydroxy(methyl)phosphoryl]-3,3-dimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 134095929

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride (CID 105439814) is 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CC(CO)C1.
What is the InChIKey of 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is SBEQUKZKPGRUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.ClH/c7-6(5(9)10)1-4(2-6)3-8;/h4,8H,1-3,7H2,(H,9,10);1H.
What are the key properties of 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride?
1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 181.62 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(hydroxymethyl)cyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 105439814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).