tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride

C7H15ClFNO2 — CID 171363962

IUPACtert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@@H](N)CF.Cl
InChIInChI=1S/C7H14FNO2.ClH/c1-7(2,3)11-6(10)5(9)4-8;/h5H,4,9H2,1-3H3;1H/t5-;/m0./s1
InChIKeyBKADUCHHKJGUAN-JEDNCBNOSA-N
MW199.65 g/mol
LogP1.05
Rot. Bonds2

About tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride

tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride (PubChem CID 171363962) has the molecular formula C7H15ClFNO2 and a molecular weight of 199.65 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
PubChem CID171363962
Molecular FormulaC7H15ClFNO2
Molecular Weight199.65 g/mol
Exact Mass199.08
IUPAC Nametert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
SMILESCC(C)(C)OC(=O)[C@@H](N)CF.Cl
InChIInChI=1S/C7H14FNO2.ClH/c1-7(2,3)11-6(10)5(9)4-8;/h5H,4,9H2,1-3H3;1H/t5-;/m0./s1
InChIKeyBKADUCHHKJGUAN-JEDNCBNOSA-N
XLogP1.05
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.65
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5323645
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tert-butyl (2R)-2-aminobutanoate
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tert-butyl 2,4-diaminopentanoate;hydrochloride
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ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
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CID 170904338

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The IUPAC name of tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride (CID 171363962) is tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The canonical SMILES for tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride is CC(C)(C)OC(=O)[C@@H](N)CF.Cl.
What is the InChIKey of tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The InChIKey is BKADUCHHKJGUAN-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H14FNO2.ClH/c1-7(2,3)11-6(10)5(9)4-8;/h5H,4,9H2,1-3H3;1H/t5-;/m0./s1.
What are the key properties of tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride has a molecular weight of 199.65 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride is sourced from PubChem (CID 171363962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).