(2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid

C11H11F2NO2 — CID 93280638

IUPAC(2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid
SMILESO=C(O)[C@H](NC1CC1)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1
InChIKeyLLCVJLSDVSYPMV-SNVBAGLBSA-N
MW227.21 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid

(2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid (PubChem CID 93280638) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid
PubChem CID93280638
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name(2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid
SMILESO=C(O)[C@H](NC1CC1)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1
InChIKeyLLCVJLSDVSYPMV-SNVBAGLBSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid?
The IUPAC name of (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid (CID 93280638) is (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid?
The canonical SMILES for (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid is O=C(O)[C@H](NC1CC1)c1c(F)cccc1F.
What is the InChIKey of (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid?
The InChIKey is LLCVJLSDVSYPMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-7-2-1-3-8(13)9(7)10(11(15)16)14-6-4-5-6/h1-3,6,10,14H,4-5H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid?
(2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid has a molecular weight of 227.21 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetic acid is sourced from PubChem (CID 93280638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).