ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate

C11H19NO2 — CID 166888475

IUPACethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
SMILESCCOC(=O)[C@@H](N)C(C1CC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)10(12)9(7-3-4-7)8-5-6-8/h7-10H,2-6,12H2,1H3/t10-/m0/s1
InChIKeyAZFHEQRHOGGJEB-JTQLQIEISA-N
MW197.28 g/mol
LogP1.31
Rot. Bonds5

About ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate

ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate (PubChem CID 166888475) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
PubChem CID166888475
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
SMILESCCOC(=O)[C@@H](N)C(C1CC1)C1CC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)10(12)9(7-3-4-7)8-5-6-8/h7-10H,2-6,12H2,1H3/t10-/m0/s1
InChIKeyAZFHEQRHOGGJEB-JTQLQIEISA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-amino-3,3-dicyclopropylpropanoate;hydrochloride
CID 168869066
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 2-amino-3-hydroxy-3-(oxan-4-yl)propanoate
CID 66206954
ethyl 2-(4-chlorocyclohexyl)butanoate
CID 174302983
ethyl (2S)-2-amino-3-cyclohexylpropanoate;hydrochloride
CID 67876797
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl 2,3-dibromo-3-cyclopropylpropanoate
CID 171562539
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
diethyl 2-(4-methoxycyclohexyl)propanedioate
CID 166470124
ethyl 2-[cyclopropyl(hydroxy)methyl]-3-methylbutanoate
CID 62398594
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate?
The IUPAC name of ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate (CID 166888475) is ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate?
The canonical SMILES for ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate is CCOC(=O)[C@@H](N)C(C1CC1)C1CC1.
What is the InChIKey of ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate?
The InChIKey is AZFHEQRHOGGJEB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)10(12)9(7-3-4-7)8-5-6-8/h7-10H,2-6,12H2,1H3/t10-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate?
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate has a molecular weight of 197.28 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate is sourced from PubChem (CID 166888475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).