propyl (2S)-2-amino-3-fluoropropanoate

C6H12FNO2 — CID 54230614

IUPACpropyl (2S)-2-amino-3-fluoropropanoate
SMILESCCCOC(=O)[C@H](N)CF
InChIInChI=1S/C6H12FNO2/c1-2-3-10-6(9)5(8)4-7/h5H,2-4,8H2,1H3/t5-/m1/s1
InChIKeyQIZMXQRITJLKQO-RXMQYKEDSA-N
MW149.16 g/mol
LogP0.24
Rot. Bonds4

About propyl (2S)-2-amino-3-fluoropropanoate

propyl (2S)-2-amino-3-fluoropropanoate (PubChem CID 54230614) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is propyl (2S)-2-amino-3-fluoropropanoate.

Molecular Properties

Compound Namepropyl (2S)-2-amino-3-fluoropropanoate
PubChem CID54230614
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Namepropyl (2S)-2-amino-3-fluoropropanoate
SMILESCCCOC(=O)[C@H](N)CF
InChIInChI=1S/C6H12FNO2/c1-2-3-10-6(9)5(8)4-7/h5H,2-4,8H2,1H3/t5-/m1/s1
InChIKeyQIZMXQRITJLKQO-RXMQYKEDSA-N
XLogP0.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-acetoxy-2-ammoniopropanoate
CID 6971051
Alanine, ethyl ester, hydrochloride (1:1)
CID 102560
CID 25245438
CID 25245438
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

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-amino-3-fluoropropanoate?
The IUPAC name of propyl (2S)-2-amino-3-fluoropropanoate (CID 54230614) is propyl (2S)-2-amino-3-fluoropropanoate.
What is the SMILES notation for propyl (2S)-2-amino-3-fluoropropanoate?
The canonical SMILES for propyl (2S)-2-amino-3-fluoropropanoate is CCCOC(=O)[C@H](N)CF.
What is the InChIKey of propyl (2S)-2-amino-3-fluoropropanoate?
The InChIKey is QIZMXQRITJLKQO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-3-10-6(9)5(8)4-7/h5H,2-4,8H2,1H3/t5-/m1/s1.
What are the key properties of propyl (2S)-2-amino-3-fluoropropanoate?
propyl (2S)-2-amino-3-fluoropropanoate has a molecular weight of 149.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-amino-3-fluoropropanoate is sourced from PubChem (CID 54230614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).