tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate

C11H21NO3 — CID 21017376

IUPACtert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate
SMILESCC1CC1C(N)C(O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-5-7(6)8(12)9(13)10(14)15-11(2,3)4/h6-9,13H,5,12H2,1-4H3
InChIKeyARQDNHOVXCLWOZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.67
Rot. Bonds3

About tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate

tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate (PubChem CID 21017376) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate
PubChem CID21017376
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate
SMILESCC1CC1C(N)C(O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-6-5-7(6)8(12)9(13)10(14)15-11(2,3)4/h6-9,13H,5,12H2,1-4H3
InChIKeyARQDNHOVXCLWOZ-UHFFFAOYSA-N
XLogP0.67
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,3S)-2-hydroxy-3-(methylamino)-3-[(1S,2R)-2-methylcyclopropyl]propanoate
CID 58604811
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
[(2S,3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]azanium
CID 7009962
N-[(1S,2R)-2-hydroxy-1-[(1S)-2-methylcyclopropyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-oxo-2-phenylacetonitrilium
CID 89374004
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2R,3S)-2-hydroxy-3-[(1S,2S)-2-methylcyclopropyl]-3-(phenylmethoxycarbonylamino)propanoate
CID 67265797
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
(2S)-2-amino-2-(2-methylcyclopropyl)acetic acid
CID 58242042

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate?
The IUPAC name of tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate (CID 21017376) is tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate.
What is the SMILES notation for tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate?
The canonical SMILES for tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate is CC1CC1C(N)C(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate?
The InChIKey is ARQDNHOVXCLWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-5-7(6)8(12)9(13)10(14)15-11(2,3)4/h6-9,13H,5,12H2,1-4H3.
What are the key properties of tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate?
tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-2-hydroxy-3-(2-methylcyclopropyl)propanoate is sourced from PubChem (CID 21017376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).