(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid

C18H17F2NO5 — CID 97259424

IUPAC(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1cccc(OC)c1CC(=O)N[C@@H](C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NO5/c1-25-14-4-3-5-15(26-2)12(14)9-16(22)21-17(18(23)24)11-7-6-10(19)8-13(11)20/h3-8,17H,9H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyXDUWTXYDPHCPPJ-QGZVFWFLSA-N
MW365.33 g/mol
LogP2.47
Rot. Bonds7

About (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid

(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid (PubChem CID 97259424) has the molecular formula C18H17F2NO5 and a molecular weight of 365.33 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid
PubChem CID97259424
Molecular FormulaC18H17F2NO5
Molecular Weight365.33 g/mol
Exact Mass365.11
IUPAC Name(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid
SMILESCOc1cccc(OC)c1CC(=O)N[C@@H](C(=O)O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NO5/c1-25-14-4-3-5-15(26-2)12(14)9-16(22)21-17(18(23)24)11-7-6-10(19)8-13(11)20/h3-8,17H,9H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyXDUWTXYDPHCPPJ-QGZVFWFLSA-N
XLogP2.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid with MolForge

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Related Compounds

(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033
3-[[2-(2,6-dimethoxyphenyl)acetyl]amino]butanoic acid
CID 119347863
N-[1-(2,4-difluorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806064
2-(2,4-difluorophenyl)-2-(4-fluoroanilino)acetic acid
CID 60992205
methyl 2-(2,4-difluorophenyl)-2-(methylamino)acetate
CID 60787900
methyl (2S)-2-(2,4-difluorophenyl)-2-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]acetate
CID 97062441
methyl 2-(2,4-difluorophenyl)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]acetate
CID 84592077
(2S)-2-[[2-(2-chloro-6-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 57102690
(2,4-difluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 61087351
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
2-(2,4-difluorophenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84746744

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid (CID 97259424) is (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid is COc1cccc(OC)c1CC(=O)N[C@@H](C(=O)O)c1ccc(F)cc1F.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid?
The InChIKey is XDUWTXYDPHCPPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H17F2NO5/c1-25-14-4-3-5-15(26-2)12(14)9-16(22)21-17(18(23)24)11-7-6-10(19)8-13(11)20/h3-8,17H,9H2,1-2H3,(H,21,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid?
(2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid has a molecular weight of 365.33 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-2-[[2-(2,6-dimethoxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 97259424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).