(2S)-2-(2-fluoroethylamino)propanoic acid

C5H10FNO2 — CID 83192654

IUPAC(2S)-2-(2-fluoroethylamino)propanoic acid
SMILESC[C@H](NCCF)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyKAYLGQUSCMDKLC-BYPYZUCNSA-N
MW135.14 g/mol
LogP0.02
Rot. Bonds4

About (2S)-2-(2-fluoroethylamino)propanoic acid

(2S)-2-(2-fluoroethylamino)propanoic acid (PubChem CID 83192654) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is (2S)-2-(2-fluoroethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-fluoroethylamino)propanoic acid
PubChem CID83192654
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name(2S)-2-(2-fluoroethylamino)propanoic acid
SMILESC[C@H](NCCF)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyKAYLGQUSCMDKLC-BYPYZUCNSA-N
XLogP0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
(2S)-2-(3,4,4-trifluorobut-3-enylamino)propanoic acid
CID 54197147
2-(3,4,4-trifluorobut-3-enylamino)propanoic acid
CID 19379985
2-(pentylamino)propanoic acid
CID 43467235
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
2-(hexadecylamino)propanoic acid
CID 15919803
2-(2-ethylsulfonylethylamino)propanoic acid
CID 43808018
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
(2S)-2-(2-cyanoethylamino)propanoic acid
CID 54110515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluoroethylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-fluoroethylamino)propanoic acid (CID 83192654) is (2S)-2-(2-fluoroethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-fluoroethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-fluoroethylamino)propanoic acid is C[C@H](NCCF)C(=O)O.
What is the InChIKey of (2S)-2-(2-fluoroethylamino)propanoic acid?
The InChIKey is KAYLGQUSCMDKLC-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-4(5(8)9)7-3-2-6/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (2S)-2-(2-fluoroethylamino)propanoic acid?
(2S)-2-(2-fluoroethylamino)propanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluoroethylamino)propanoic acid is sourced from PubChem (CID 83192654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).