tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride

C10H20ClFN2O2 — CID 129319825

IUPACtert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride
SMILESCC(C)(C)OC(=O)C(N)[C@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C10H19FN2O2.ClH/c1-10(2,3)15-9(14)8(12)7-4-6(11)5-13-7;/h6-8,13H,4-5,12H2,1-3H3;1H/t6-,7+,8?;/m0./s1
InChIKeyDPJMCDRQLPBONC-GZVYQWMRSA-N
MW254.73 g/mol
LogP0.78
Rot. Bonds2

About tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride

tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride (PubChem CID 129319825) has the molecular formula C10H20ClFN2O2 and a molecular weight of 254.73 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride
PubChem CID129319825
Molecular FormulaC10H20ClFN2O2
Molecular Weight254.73 g/mol
Exact Mass254.12
IUPAC Nametert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride
SMILESCC(C)(C)OC(=O)C(N)[C@H]1C[C@H](F)CN1.Cl
InChIInChI=1S/C10H19FN2O2.ClH/c1-10(2,3)15-9(14)8(12)7-4-6(11)5-13-7;/h6-8,13H,4-5,12H2,1-3H3;1H/t6-,7+,8?;/m0./s1
InChIKeyDPJMCDRQLPBONC-GZVYQWMRSA-N
XLogP0.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-fluoro-2-propan-2-ylpyrrolidine
CID 59459275
tert-butyl N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 103098260
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
tert-butyl 5-fluoropiperidine-2-carboxylate
CID 57018078
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
CID 57198840
tert-butyl (2S)-2-amino-3,3-dimethylbutanoate;hydrochloride
CID 56776989
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride?
The IUPAC name of tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride (CID 129319825) is tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride.
What is the SMILES notation for tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride?
The canonical SMILES for tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride is CC(C)(C)OC(=O)C(N)[C@H]1C[C@H](F)CN1.Cl.
What is the InChIKey of tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride?
The InChIKey is DPJMCDRQLPBONC-GZVYQWMRSA-N. The full InChI is InChI=1S/C10H19FN2O2.ClH/c1-10(2,3)15-9(14)8(12)7-4-6(11)5-13-7;/h6-8,13H,4-5,12H2,1-3H3;1H/t6-,7+,8?;/m0./s1.
What are the key properties of tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride?
tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride has a molecular weight of 254.73 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]acetate;hydrochloride is sourced from PubChem (CID 129319825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).