4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid

C19H23FN2O4 — CID 170324050

IUPAC4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
SMILESCC1(C)C(=O)N(CC(=O)NCCCC(=O)O)c2c(F)cc(C3CC3)cc21
InChIInChI=1S/C19H23FN2O4/c1-19(2)13-8-12(11-5-6-11)9-14(20)17(13)22(18(19)26)10-15(23)21-7-3-4-16(24)25/h8-9,11H,3-7,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyWGGTVDGGWKSSEZ-UHFFFAOYSA-N
MW362.40 g/mol
LogP2.31
Rot. Bonds7

About 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid

4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid (PubChem CID 170324050) has the molecular formula C19H23FN2O4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
PubChem CID170324050
Molecular FormulaC19H23FN2O4
Molecular Weight362.40 g/mol
Exact Mass362.16
IUPAC Name4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
SMILESCC1(C)C(=O)N(CC(=O)NCCCC(=O)O)c2c(F)cc(C3CC3)cc21
InChIInChI=1S/C19H23FN2O4/c1-19(2)13-8-12(11-5-6-11)9-14(20)17(13)22(18(19)26)10-15(23)21-7-3-4-16(24)25/h8-9,11H,3-7,10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyWGGTVDGGWKSSEZ-UHFFFAOYSA-N
XLogP2.31
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid (CID 170324050) is 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid is CC1(C)C(=O)N(CC(=O)NCCCC(=O)O)c2c(F)cc(C3CC3)cc21.
What is the InChIKey of 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is WGGTVDGGWKSSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O4/c1-19(2)13-8-12(11-5-6-11)9-14(20)17(13)22(18(19)26)10-15(23)21-7-3-4-16(24)25/h8-9,11H,3-7,10H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 362.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 170324050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).