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

C21H28N2O4 — CID 170376464

IUPAC4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
SMILESCC1(C)C(=O)N(CC(=O)NCCCC(=O)O)c2ccc(C3CCCC3)cc21
InChIInChI=1S/C21H28N2O4/c1-21(2)16-12-15(14-6-3-4-7-14)9-10-17(16)23(20(21)27)13-18(24)22-11-5-8-19(25)26/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHSSGBCWVRARLOL-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.95
Rot. Bonds7

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

4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid (PubChem CID 170376464) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
PubChem CID170376464
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid
SMILESCC1(C)C(=O)N(CC(=O)NCCCC(=O)O)c2ccc(C3CCCC3)cc21
InChIInChI=1S/C21H28N2O4/c1-21(2)16-12-15(14-6-3-4-7-14)9-10-17(16)23(20(21)27)13-18(24)22-11-5-8-19(25)26/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyHSSGBCWVRARLOL-UHFFFAOYSA-N
XLogP2.95
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.95
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-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

methyl 4-[[2-(5-bromo-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoate
CID 170324171
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 91945450
2-(5-cyclopropyl-7-fluoro-3,3-dimethyl-2-oxoindol-1-yl)-N-(4,4-dihydroxybutyl)acetamide
CID 170376503
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53057389
methyl 2-[5-(3-cyclopentylpropanoylamino)-3,3-dimethyl-2-oxoindol-1-yl]acetate
CID 75538513
4-[[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]butanoic acid
CID 119352697
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-5-pyrrolidin-1-ylsulfonylindol-1-yl)acetamide
CID 50767660
4-[[2-[3,3-dimethyl-2-oxo-5-(trifluoromethyl)indol-1-yl]acetyl]amino]-4-methylpentanoic acid
CID 170324091
2-(5-chloro-3,3-dimethyl-2-oxoindol-1-yl)-N-[2-[(dimethylamino)methyl]cyclohexyl]acetamide
CID 110279183
N-[(4-chlorophenyl)methyl]-2-(3,3,5-trimethyl-2-oxoindol-1-yl)acetamide
CID 53057430
2-(5-cyclopropyl-7-hydroxy-3,3-dimethyl-2-oxoindol-1-yl)-N-[3-(2H-tetrazol-5-yl)propyl]acetamide
CID 170324322
N-cyclooctyl-2-[3,3-dimethyl-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-oxoindol-1-yl]acetamide
CID 94070581

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid (CID 170376464) is 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid is CC1(C)C(=O)N(CC(=O)NCCCC(=O)O)c2ccc(C3CCCC3)cc21.
What is the InChIKey of 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is HSSGBCWVRARLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-21(2)16-12-15(14-6-3-4-7-14)9-10-17(16)23(20(21)27)13-18(24)22-11-5-8-19(25)26/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid?
4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 372.47 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-cyclopentyl-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 170376464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).