3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid

C10H12FNO2 — CID 138583979

IUPAC3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
SMILESNCc1ccc(CC(F)C(=O)O)cc1
InChIInChI=1S/C10H12FNO2/c11-9(10(13)14)5-7-1-3-8(6-12)4-2-7/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyHXOOMQLBRYDWPS-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.11
Rot. Bonds4

About 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid

3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid (PubChem CID 138583979) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
PubChem CID138583979
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
SMILESNCc1ccc(CC(F)C(=O)O)cc1
InChIInChI=1S/C10H12FNO2/c11-9(10(13)14)5-7-1-3-8(6-12)4-2-7/h1-4,9H,5-6,12H2,(H,13,14)
InChIKeyHXOOMQLBRYDWPS-UHFFFAOYSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
3-[4-(aminomethyl)phenyl]-2-methylpropanoic acid;hydrochloride
CID 139945600
3-(4-cyclopropylphenyl)-2-fluoropropanoic acid
CID 81358375
3-(3,4-difluorophenyl)-2-fluoropropanoic acid
CID 81357959
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
3-(4-chloro-3-fluorophenyl)-2-fluoropropanoic acid
CID 130820068
3-[4-(aminomethyl)phenyl]-2-(propan-2-ylamino)propanoic acid
CID 22480525
(4-ethylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 70207197
1-[4-(aminomethyl)phenyl]-1-fluoro-3-methylbutan-2-one
CID 176742060
5-(aminomethyl)-2-(difluoromethyl)benzoic acid
CID 123850880
3-(2,3-dihydro-1-benzofuran-5-yl)-2-fluoropropanoic acid
CID 81357256
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
The IUPAC name of 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid (CID 138583979) is 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid is NCc1ccc(CC(F)C(=O)O)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
The InChIKey is HXOOMQLBRYDWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9(10(13)14)5-7-1-3-8(6-12)4-2-7/h1-4,9H,5-6,12H2,(H,13,14).
What are the key properties of 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid?
3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid has a molecular weight of 197.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid is sourced from PubChem (CID 138583979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).