methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate

C10H17NO2 — CID 123162139

IUPACmethyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate
SMILESCOC(=O)C(N)CC1CC2CC2C1
InChIInChI=1S/C10H17NO2/c1-13-10(12)9(11)4-6-2-7-5-8(7)3-6/h6-9H,2-5,11H2,1H3
InChIKeyALUGQOKEKOIUOX-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.92
Rot. Bonds3

About methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate

methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate (PubChem CID 123162139) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate
PubChem CID123162139
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate
SMILESCOC(=O)C(N)CC1CC2CC2C1
InChIInChI=1S/C10H17NO2/c1-13-10(12)9(11)4-6-2-7-5-8(7)3-6/h6-9H,2-5,11H2,1H3
InChIKeyALUGQOKEKOIUOX-UHFFFAOYSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108
methyl (2S)-2-amino-3-cyclobutylpropanoate;hydrochloride
CID 137346923
methyl 2-amino-3-(1-methylpiperidin-4-yl)propanoate
CID 83854817
methyl (2S)-2-amino-3-[(1R)-2-methylidenecyclopropyl]propanoate;hydrochloride
CID 73425474
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730214
methyl (2R)-2-amino-4-cyclohexylbutanoate
CID 150785903
methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791
methyl 2-amino-3-selanylpropanoate
CID 174947260
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate?
The IUPAC name of methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate (CID 123162139) is methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate is COC(=O)C(N)CC1CC2CC2C1.
What is the InChIKey of methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate?
The InChIKey is ALUGQOKEKOIUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)9(11)4-6-2-7-5-8(7)3-6/h6-9H,2-5,11H2,1H3.
What are the key properties of methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate?
methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate has a molecular weight of 183.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(3-bicyclo[3.1.0]hexanyl)propanoate is sourced from PubChem (CID 123162139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).