2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid

C11H14FNO3 — CID 107698106

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
SMILESCC(C)NC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO3/c1-6(2)13-10(11(15)16)8-5-7(12)3-4-9(8)14/h3-6,10,13-14H,1-2H3,(H,15,16)
InChIKeyKGQPWTBEMYOOCI-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.65
Rot. Bonds4

About 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid

2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid (PubChem CID 107698106) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
PubChem CID107698106
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid
SMILESCC(C)NC(C(=O)O)c1cc(F)ccc1O
InChIInChI=1S/C11H14FNO3/c1-6(2)13-10(11(15)16)8-5-7(12)3-4-9(8)14/h3-6,10,13-14H,1-2H3,(H,15,16)
InChIKeyKGQPWTBEMYOOCI-UHFFFAOYSA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetic acid
CID 107698104
2-(5-fluoro-2-hydroxyphenyl)-2-(2-methylanilino)acetic acid
CID 107698154
2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]-3-methylbutanamide
CID 106344408
2-(5-fluoro-2-hydroxyphenyl)-2-(propylamino)acetamide
CID 107698118
4-fluoro-2-(1-hydroxyethyl)phenol
CID 53406163
2-(5-fluoro-2-hydroxyphenyl)-2-(4-methylanilino)acetamide
CID 107698125
4-fluoro-2-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenol
CID 81350470
2-(4-fluoro-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 62136005
2-[1-[[carboxy-(2-hydroxyphenyl)methyl]amino]ethylamino]-2-(2-hydroxyphenyl)acetic acid
CID 141037281
4-fluoro-2-(1-hydrazinylethyl)phenol
CID 53402356
3-amino-2-(5-fluoro-2-hydroxyphenyl)propanoic acid
CID 82607416
4-fluoro-2-(1-phenylethyl)phenol
CID 83382544

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid (CID 107698106) is 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid is CC(C)NC(C(=O)O)c1cc(F)ccc1O.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid?
The InChIKey is KGQPWTBEMYOOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-6(2)13-10(11(15)16)8-5-7(12)3-4-9(8)14/h3-6,10,13-14H,1-2H3,(H,15,16).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid?
2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid has a molecular weight of 227.23 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-(propan-2-ylamino)acetic acid is sourced from PubChem (CID 107698106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).