(3S)-4-amino-3-fluorobutanoic acid;hydrochloride

C4H9ClFNO2 — CID 155906053

IUPAC(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
SMILESCl.NC[C@@H](F)CC(=O)O
InChIInChI=1S/C4H8FNO2.ClH/c5-3(2-6)1-4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m0./s1
InChIKeyHXWXYDCIPTWHMY-DFWYDOINSA-N
MW157.57 g/mol
LogP0.18
Rot. Bonds3

About (3S)-4-amino-3-fluorobutanoic acid;hydrochloride

(3S)-4-amino-3-fluorobutanoic acid;hydrochloride (PubChem CID 155906053) has the molecular formula C4H9ClFNO2 and a molecular weight of 157.57 g/mol. Its IUPAC name is (3S)-4-amino-3-fluorobutanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
PubChem CID155906053
Molecular FormulaC4H9ClFNO2
Molecular Weight157.57 g/mol
Exact Mass157.03
IUPAC Name(3S)-4-amino-3-fluorobutanoic acid;hydrochloride
SMILESCl.NC[C@@H](F)CC(=O)O
InChIInChI=1S/C4H8FNO2.ClH/c5-3(2-6)1-4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m0./s1
InChIKeyHXWXYDCIPTWHMY-DFWYDOINSA-N
XLogP0.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.57
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-4-amino-3-methylbutanoic acid;hydrochloride
CID 87721123
4-aminobutane-1,2,3-tricarboxylic acid
CID 88712271
sodium;3,4-diaminobutanoic acid;hydride
CID 173483530
4-amino-3-methylbutanoic acid;2-methylpropane
CID 143811203
3-bromo-3-fluoropropanoic acid
CID 10986714
(2S,4S)-5-amino-4-fluoro-2-hydroxypentanoic acid
CID 139667914
acetic acid;3,4-diaminobutanoic acid
CID 173099381
(2S,4S)-2,5-diamino-4-(18F)fluoropentanoic acid
CID 46207589
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
2-aminoacetic acid;methane;hydrochloride
CID 174614167
3,4,4,4-tetrafluorobutanoic acid
CID 83856312

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-3-fluorobutanoic acid;hydrochloride?
The IUPAC name of (3S)-4-amino-3-fluorobutanoic acid;hydrochloride (CID 155906053) is (3S)-4-amino-3-fluorobutanoic acid;hydrochloride.
What is the SMILES notation for (3S)-4-amino-3-fluorobutanoic acid;hydrochloride?
The canonical SMILES for (3S)-4-amino-3-fluorobutanoic acid;hydrochloride is Cl.NC[C@@H](F)CC(=O)O.
What is the InChIKey of (3S)-4-amino-3-fluorobutanoic acid;hydrochloride?
The InChIKey is HXWXYDCIPTWHMY-DFWYDOINSA-N. The full InChI is InChI=1S/C4H8FNO2.ClH/c5-3(2-6)1-4(7)8;/h3H,1-2,6H2,(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (3S)-4-amino-3-fluorobutanoic acid;hydrochloride?
(3S)-4-amino-3-fluorobutanoic acid;hydrochloride has a molecular weight of 157.57 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-amino-3-fluorobutanoic acid;hydrochloride is sourced from PubChem (CID 155906053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).