2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid

C18H24F2N2O3 — CID 72858268

IUPAC2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid
SMILESCC(C)N1CCC(CC(=O)NC(C(=O)O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H24F2N2O3/c1-11(2)22-7-5-12(6-8-22)9-16(23)21-17(18(24)25)14-10-13(19)3-4-15(14)20/h3-4,10-12,17H,5-9H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyGXYDJUVGWNFETG-UHFFFAOYSA-N
MW354.40 g/mol
LogP2.72
Rot. Bonds6

About 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid

2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid (PubChem CID 72858268) has the molecular formula C18H24F2N2O3 and a molecular weight of 354.40 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid
PubChem CID72858268
Molecular FormulaC18H24F2N2O3
Molecular Weight354.40 g/mol
Exact Mass354.18
IUPAC Name2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid
SMILESCC(C)N1CCC(CC(=O)NC(C(=O)O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C18H24F2N2O3/c1-11(2)22-7-5-12(6-8-22)9-16(23)21-17(18(24)25)14-10-13(19)3-4-15(14)20/h3-4,10-12,17H,5-9H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyGXYDJUVGWNFETG-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-phenyl-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]propanoic acid
CID 72910352
2-cyclopentyl-N-[1-(2,4-difluorophenyl)ethyl]acetamide
CID 78778579
2-[1-[1-(2,5-difluorophenyl)ethyl]piperidin-4-yl]oxyacetic acid
CID 65066035
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97197132
2-[1-[1-(2-chloro-4-fluorophenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606465
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 72844263
2-(cyclopropylamino)-N-[1-(2,5-difluorophenyl)ethyl]acetamide
CID 60843573
2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
2-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-fluorophenyl)propyl]acetamide
CID 97205946
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid (CID 72858268) is 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid is CC(C)N1CCC(CC(=O)NC(C(=O)O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid?
The InChIKey is GXYDJUVGWNFETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O3/c1-11(2)22-7-5-12(6-8-22)9-16(23)21-17(18(24)25)14-10-13(19)3-4-15(14)20/h3-4,10-12,17H,5-9H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid?
2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid has a molecular weight of 354.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-[[2-(1-propan-2-ylpiperidin-4-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 72858268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).