methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate

C11H21NO3 — CID 99837528

IUPACmethyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate
SMILESCOC(=O)[C@H](N[C@H](C)C1CCC1)[C@@H](C)O
InChIInChI=1S/C11H21NO3/c1-7(9-5-4-6-9)12-10(8(2)13)11(14)15-3/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,10-/m1/s1
InChIKeyBSERUWHWZGPHJC-NQMVMOMDSA-N
MW215.29 g/mol
LogP0.69
Rot. Bonds5

About methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate

methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate (PubChem CID 99837528) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate
PubChem CID99837528
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate
SMILESCOC(=O)[C@H](N[C@H](C)C1CCC1)[C@@H](C)O
InChIInChI=1S/C11H21NO3/c1-7(9-5-4-6-9)12-10(8(2)13)11(14)15-3/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,10-/m1/s1
InChIKeyBSERUWHWZGPHJC-NQMVMOMDSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105
methyl (2S)-3-methyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]butanoate
CID 61142649
2-(1-cyclohexylethylamino)-3-methylbutanamide
CID 103729646
methyl 2-[[(1S)-1-cycloheptylethyl]amino]butanoate
CID 115353551
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
methyl (2R,3R)-3-hydroxy-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 99834927
N-carbamoyl-2-(1-cyclobutylethylamino)propanamide
CID 115766420
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
propan-2-yl (3R)-3-hydroxy-2-(propan-2-ylamino)butanoate
CID 140961196
methyl 2-cyclododecyl-2-hydroxyacetate
CID 66287971
methyl 3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 122389974
methyl (2S,3R)-3-cyclohexyl-3-hydroxy-2-methoxypropanoate
CID 134952784

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate?
The IUPAC name of methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate (CID 99837528) is methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate.
What is the SMILES notation for methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate?
The canonical SMILES for methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate is COC(=O)[C@H](N[C@H](C)C1CCC1)[C@@H](C)O.
What is the InChIKey of methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate?
The InChIKey is BSERUWHWZGPHJC-NQMVMOMDSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7(9-5-4-6-9)12-10(8(2)13)11(14)15-3/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,10-/m1/s1.
What are the key properties of methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate?
methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate has a molecular weight of 215.29 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-[[(1R)-1-cyclobutylethyl]amino]-3-hydroxybutanoate is sourced from PubChem (CID 99837528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).