2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid

C12H16FNO2 — CID 81380426

IUPAC2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
SMILESCCC(N[C@H](C)c1ccccc1F)C(=O)O
InChIInChI=1S/C12H16FNO2/c1-3-11(12(15)16)14-8(2)9-6-4-5-7-10(9)13/h4-8,11,14H,3H2,1-2H3,(H,15,16)/t8-,11?/m1/s1
InChIKeySOYFOKOJFULPPP-RZZZFEHKSA-N
MW225.26 g/mol
LogP2.34
Rot. Bonds5

About 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid

2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid (PubChem CID 81380426) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
PubChem CID81380426
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
SMILESCCC(N[C@H](C)c1ccccc1F)C(=O)O
InChIInChI=1S/C12H16FNO2/c1-3-11(12(15)16)14-8(2)9-6-4-5-7-10(9)13/h4-8,11,14H,3H2,1-2H3,(H,15,16)/t8-,11?/m1/s1
InChIKeySOYFOKOJFULPPP-RZZZFEHKSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
3-[1-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 79391328
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81380238
N-[1-(2-fluorophenyl)ethyl]-2-methylpentan-3-amine
CID 60928177
(2S)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63718664
(2R)-4-amino-2-[1-(2-fluorophenyl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 107826890
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
(2R)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]butanamide
CID 81377906
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
3-[1-(2-fluorophenyl)ethylamino]propanoic acid
CID 43087232

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid?
The IUPAC name of 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid (CID 81380426) is 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid?
The canonical SMILES for 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid is CCC(N[C@H](C)c1ccccc1F)C(=O)O.
What is the InChIKey of 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid?
The InChIKey is SOYFOKOJFULPPP-RZZZFEHKSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-3-11(12(15)16)14-8(2)9-6-4-5-7-10(9)13/h4-8,11,14H,3H2,1-2H3,(H,15,16)/t8-,11?/m1/s1.
What are the key properties of 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid?
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid has a molecular weight of 225.26 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid is sourced from PubChem (CID 81380426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).