(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid

C15H13F2NO3 — CID 66513242

IUPAC(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1ccc(COc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H13F2NO3/c16-11-5-6-12(17)13(7-11)21-8-9-1-3-10(4-2-9)14(18)15(19)20/h1-7,14H,8,18H2,(H,19,20)/t14-/m0/s1
InChIKeyRRLCIXUXNGPENQ-AWEZNQCLSA-N
MW293.27 g/mol
LogP2.63
Rot. Bonds5

About (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid

(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid (PubChem CID 66513242) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid
PubChem CID66513242
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid
SMILESN[C@H](C(=O)O)c1ccc(COc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H13F2NO3/c16-11-5-6-12(17)13(7-11)21-8-9-1-3-10(4-2-9)14(18)15(19)20/h1-7,14H,8,18H2,(H,19,20)/t14-/m0/s1
InChIKeyRRLCIXUXNGPENQ-AWEZNQCLSA-N
XLogP2.63
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[4-[(2,5-difluorophenoxy)methyl]phenyl]-2,2,2-trifluoroethanamine
CID 66512563
2-bromo-1-[4-[(2,5-difluorophenoxy)methyl]phenyl]-2,2-difluoroethanone
CID 146006185
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
3-(2,5-difluorophenoxy)-2-phenylpropanoic acid
CID 63272958
methyl 4-fluoro-3-[(4-fluorophenyl)methoxy]benzoate
CID 86725638
5-[(2-bromo-5-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 107881254
2-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzoic acid
CID 107014211
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
5-[(2,5-difluorophenoxy)methyl]pyridin-2-amine
CID 55168899
1-[4-[(2,5-difluorophenoxy)methyl]phenyl]-3,5,5-trimethylhexan-1-one
CID 146006222
magnesium;1,4-difluoro-2-(phenylmethoxy)benzene;bromide
CID 91655643

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid (CID 66513242) is (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid is N[C@H](C(=O)O)c1ccc(COc2cc(F)ccc2F)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid?
The InChIKey is RRLCIXUXNGPENQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-11-5-6-12(17)13(7-11)21-8-9-1-3-10(4-2-9)14(18)15(19)20/h1-7,14H,8,18H2,(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid?
(2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid has a molecular weight of 293.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-[(2,5-difluorophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 66513242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).