methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride

C4H9ClFNO2 — CID 102601639

IUPACmethyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CF.Cl
InChIInChI=1S/C4H8FNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m0./s1
InChIKeyONWXGBSDBSSAKZ-DFWYDOINSA-N
MW157.57 g/mol
LogP-0.12
Rot. Bonds2

About methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride

methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride (PubChem CID 102601639) has the molecular formula C4H9ClFNO2 and a molecular weight of 157.57 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
PubChem CID102601639
Molecular FormulaC4H9ClFNO2
Molecular Weight157.57 g/mol
Exact Mass157.03
IUPAC Namemethyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
SMILESCOC(=O)[C@@H](N)CF.Cl
InChIInChI=1S/C4H8FNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m0./s1
InChIKeyONWXGBSDBSSAKZ-DFWYDOINSA-N
XLogP-0.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.57
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
Alanine methyl ester hydrochloride
CID 2733257
Alanine, methyl ester, hydrochloride (1:1)
CID 2756298
L-Alanine methyl ester
CID 82335
Methyl D-alaninate hydrochloride
CID 11182647
NoName_3047
CID 69236
DL-Alanine methyl ester
CID 111314
L-Alanine ethyl ester
CID 76507
2-Aminobutyric acid methyl ester
CID 151013
ethyl (2S)-2-aminobutanoate hydrochloride
CID 12844024
L-Alanine isopropyl ester hydrochloride
CID 13089459
methyl (2R)-2-aminobutanoate hydrochloride
CID 13283516

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride (CID 102601639) is methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride is COC(=O)[C@@H](N)CF.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
The InChIKey is ONWXGBSDBSSAKZ-DFWYDOINSA-N. The full InChI is InChI=1S/C4H8FNO2.ClH/c1-8-4(7)3(6)2-5;/h3H,2,6H2,1H3;1H/t3-;/m0./s1.
What are the key properties of methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride?
methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride has a molecular weight of 157.57 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-fluoropropanoate;hydrochloride is sourced from PubChem (CID 102601639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).