2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol

C16H18F2N2O3 — CID 158720489

IUPAC2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol
SMILESNC(C(=O)O)c1ccc(F)cc1.NC(CO)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO2.C8H10FNO/c9-6-3-1-5(2-4-6)7(10)8(11)12;9-7-3-1-6(2-4-7)8(10)5-11/h1-4,7H,10H2,(H,11,12);1-4,8,11H,5,10H2
InChIKeyIJVVZOUVNBZPKB-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.73
Rot. Bonds4

About 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol

2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol (PubChem CID 158720489) has the molecular formula C16H18F2N2O3 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol
PubChem CID158720489
Molecular FormulaC16H18F2N2O3
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol
SMILESNC(C(=O)O)c1ccc(F)cc1.NC(CO)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO2.C8H10FNO/c9-6-3-1-5(2-4-6)7(10)8(11)12;9-7-3-1-6(2-4-7)8(10)5-11/h1-4,7H,10H2,(H,11,12);1-4,8,11H,5,10H2
InChIKeyIJVVZOUVNBZPKB-UHFFFAOYSA-N
XLogP1.73
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
[(2R)-2-amino-2-(4-fluorophenyl)ethyl]-tert-butylcarbamic acid
CID 68602940
(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
2-amino-3-hydroxypropanoic acid;fluorobenzene
CID 175128385
5-amino-5-(4-fluorophenyl)-3-methylpentanoic acid
CID 62935345
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
CID 172809734
CID 172809734

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol (CID 158720489) is 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol is NC(C(=O)O)c1ccc(F)cc1.NC(CO)c1ccc(F)cc1.
What is the InChIKey of 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol?
The InChIKey is IJVVZOUVNBZPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2.C8H10FNO/c9-6-3-1-5(2-4-6)7(10)8(11)12;9-7-3-1-6(2-4-7)8(10)5-11/h1-4,7H,10H2,(H,11,12);1-4,8,11H,5,10H2.
What are the key properties of 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol?
2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol has a molecular weight of 324.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-fluorophenyl)acetic acid;2-amino-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 158720489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).