cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride

C6H12ClNO2 — CID 67429734

IUPACcis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CC[C@@H]1N.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)4-2-3-5(4)7;/h4-5H,2-3,7H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyUCDVGKULVDTSRP-JBUOLDKXSA-N
MW165.62 g/mol
LogP0.32
Rot. Bonds1

About cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride

cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride (PubChem CID 67429734) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride
PubChem CID67429734
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namecis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CC[C@@H]1N.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-9-6(8)4-2-3-5(4)7;/h4-5H,2-3,7H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyUCDVGKULVDTSRP-JBUOLDKXSA-N
XLogP0.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-Aminocyclobutanecarboxylic acid
CID 5275644
Methyl 3-aminocyclobutane-1-carboxylate hydrochloride
CID 43810936
Methyl 3-(aminomethyl)cyclobutanecarboxylate hydrochloride
CID 86222900
rac-(1R,2R)-2-aminocyclobutane-1-carboxylic acid hydrochloride
CID 127263592
rac-methyl (1R,2R)-2-aminocyclobutane-1-carboxylate hydrochloride
CID 145709054
cis-2-Aminocyclobutanecarboxylic acid hydrochloride
CID 45262137
2-Aminocyclobutane-1-carboxylic acid
CID 437817
2-Aminocyclobutanecarboxylic acid, trans-
CID 13039550
Methyl 2-[(1s,3s)-3-aminocyclobutyl]acetate hydrochloride
CID 132327772
Cyclobutanecarboxylic acid, 2-amino-, (1S,2R)-
CID 11297952
(1S,2S)-2-Aminocyclobutanecarboxylic acid
CID 42611781
methyl (1R,2S)-2-aminocyclobutane-1-carboxylate
CID 45078849

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride (CID 67429734) is cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride is COC(=O)[C@@H]1CC[C@@H]1N.Cl.
What is the InChIKey of cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride?
The InChIKey is UCDVGKULVDTSRP-JBUOLDKXSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-9-6(8)4-2-3-5(4)7;/h4-5H,2-3,7H2,1H3;1H/t4-,5+;/m1./s1.
What are the key properties of cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride?
cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2S)-2-aminocyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 67429734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).