ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride

C8H17ClFNO2 — CID 71743234

IUPACethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CC(C)(C)F.Cl
InChIInChI=1S/C8H16FNO2.ClH/c1-4-12-7(11)6(10)5-8(2,3)9;/h6H,4-5,10H2,1-3H3;1H/t6-;/m0./s1
InChIKeyJAKZTACOAZGMPR-RGMNGODLSA-N
MW213.68 g/mol
LogP1.44
Rot. Bonds4

About ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride

ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride (PubChem CID 71743234) has the molecular formula C8H17ClFNO2 and a molecular weight of 213.68 g/mol. Its IUPAC name is ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
PubChem CID71743234
Molecular FormulaC8H17ClFNO2
Molecular Weight213.68 g/mol
Exact Mass213.09
IUPAC Nameethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride
SMILESCCOC(=O)[C@@H](N)CC(C)(C)F.Cl
InChIInChI=1S/C8H16FNO2.ClH/c1-4-12-7(11)6(10)5-8(2,3)9;/h6H,4-5,10H2,1-3H3;1H/t6-;/m0./s1
InChIKeyJAKZTACOAZGMPR-RGMNGODLSA-N
XLogP1.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
ethyl 2-amino-4-[methyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053351
2-amino-5,5,5-trifluoro-4-methylpentanoic acid;ethyl 2-amino-5,5,5-trifluoro-4-methylpentanoate;hydrochloride
CID 159408077
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
ethyl 2-aminohexanoate;hydrochloride
CID 18387178
ethyl 4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 170900777
ethyl (2R)-2-amino-3,3-difluoropropanoate;hydrochloride
CID 91928398
ethyl 4,4,4-trifluoro-2-hydroxybutanoate
CID 19805842
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893
ethyl (2R,3R)-3-amino-4,4,4-trifluoro-2-methoxybutanoate
CID 150708955

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride?
The IUPAC name of ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride (CID 71743234) is ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride is CCOC(=O)[C@@H](N)CC(C)(C)F.Cl.
What is the InChIKey of ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride?
The InChIKey is JAKZTACOAZGMPR-RGMNGODLSA-N. The full InChI is InChI=1S/C8H16FNO2.ClH/c1-4-12-7(11)6(10)5-8(2,3)9;/h6H,4-5,10H2,1-3H3;1H/t6-;/m0./s1.
What are the key properties of ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride?
ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride has a molecular weight of 213.68 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-4-fluoro-4-methylpentanoate;hydrochloride is sourced from PubChem (CID 71743234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).