methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride

C8H16ClNO2 — CID 137346923

IUPACmethyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CC1CCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)5-6-3-2-4-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1
InChIKeyOIIWGMFNFPCAEB-FJXQXJEOSA-N
MW193.67 g/mol
LogP1.10
Rot. Bonds3

About methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride

methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride (PubChem CID 137346923) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
PubChem CID137346923
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CC1CCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)5-6-3-2-4-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1
InChIKeyOIIWGMFNFPCAEB-FJXQXJEOSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3-cyclobutyl-2-fluoropropanoate
CID 105431407
methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate
CID 123162139
methyl 2-[(2-amino-3-cyclohexylpropanoyl)amino]-3-cyclohexylpropanoate
CID 171080468
2-amino-3-cyclobutylpropanamide
CID 65458295
4-amino-5-cyclobutylpentane-2,3-dione
CID 59655547
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
2-amino-3-cyclobutyl-N'-methylpropanehydrazide
CID 116849612
methyl 2-amino-3-(3-cyclopentyl-2-hydroxypropyl)sulfanylpropanoate
CID 103158740

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride (CID 137346923) is methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride is COC(=O)[C@@H](N)CC1CCC1.Cl.
What is the InChIKey of methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride?
The InChIKey is OIIWGMFNFPCAEB-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-8(10)7(9)5-6-3-2-4-6;/h6-7H,2-5,9H2,1H3;1H/t7-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride?
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride is sourced from PubChem (CID 137346923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).