2-[(2-fluorophenyl)methylamino]acetic acid

C9H10FNO2 — CID 5005584

IUPAC2-[(2-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccccc1F
InChIInChI=1S/C9H10FNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyIHEGXQRJGUZMSF-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.00
Rot. Bonds4

About 2-[(2-fluorophenyl)methylamino]acetic acid

2-[(2-fluorophenyl)methylamino]acetic acid (PubChem CID 5005584) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]acetic acid
PubChem CID5005584
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name2-[(2-fluorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccccc1F
InChIInChI=1S/C9H10FNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13)
InChIKeyIHEGXQRJGUZMSF-UHFFFAOYSA-N
XLogP1.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
2-[(2-fluorophenyl)methylamino]acetyl iodide
CID 122663057
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
6-[(2-fluorophenyl)methylamino]-4-methylhexanoic acid
CID 65290029
3-[(2-fluorophenyl)methylamino]-1-phenylpropan-1-ol
CID 12951841
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
3-(2-fluorophenyl)propanoic acid
CID 2063866
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
2-[2-[(2-fluorophenyl)methylamino]ethyl]benzoic acid
CID 104546813
2-[[2-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylamino]acetic acid
CID 66533045
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]acetic acid (CID 5005584) is 2-[(2-fluorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]acetic acid is O=C(O)CNCc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]acetic acid?
The InChIKey is IHEGXQRJGUZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-8-4-2-1-3-7(8)5-11-6-9(12)13/h1-4,11H,5-6H2,(H,12,13).
What are the key properties of 2-[(2-fluorophenyl)methylamino]acetic acid?
2-[(2-fluorophenyl)methylamino]acetic acid has a molecular weight of 183.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]acetic acid is sourced from PubChem (CID 5005584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).