2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid

C15H16FNO3 — CID 170324258

IUPAC2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid
SMILESCC1(C)C(=O)N(CC(=O)O)c2ccc(C3CC3)c(F)c21
InChIInChI=1S/C15H16FNO3/c1-15(2)12-10(17(14(15)20)7-11(18)19)6-5-9(13(12)16)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQKZBWJYSTMPOAO-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.41
Rot. Bonds3

About 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid

2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid (PubChem CID 170324258) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid
PubChem CID170324258
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid
SMILESCC1(C)C(=O)N(CC(=O)O)c2ccc(C3CC3)c(F)c21
InChIInChI=1S/C15H16FNO3/c1-15(2)12-10(17(14(15)20)7-11(18)19)6-5-9(13(12)16)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyQKZBWJYSTMPOAO-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-cyclopropyl-4-[[2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 170324192
tert-butyl (3R,4R)-4-cyclopropyl-4-[[2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]-3-methylbutanoate
CID 170377200
tert-butyl (3S,4S)-4-cyclopropyl-4-[[2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]-3-methylbutanoate
CID 170377198
2-[(2'R)-6-cyclopropyl-2',5-difluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl]acetic acid
CID 169212363
(3R,4R)-4-[[2-(5-cyclopropyl-4,7-difluoro-3,3-dimethyl-2-oxoindol-1-yl)acetyl]amino]-3-(trifluoromethyl)pentanoic acid
CID 170324114
2-(7-fluoro-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)acetic acid
CID 133219815
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
2-[4-[3-amino-4-(2,6-dioxopiperidin-3-yl)-2-fluorophenyl]piperidin-1-yl]acetic acid
CID 175548556
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)cyclohexyl]cyclohexyl]acetic acid
CID 130281438
2-[6-cyclobutyl-4-(difluoromethyl)-5-fluoro-1-oxophthalazin-2-yl]acetic acid
CID 162732121
2-[(3S)-4,5-difluoro-3-methoxy-2-oxo-3-(thian-4-yl)indol-1-yl]acetamide
CID 178005083
4-cyclopropyl-3-fluorobenzene-1,2-diamine
CID 174232109

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid?
The IUPAC name of 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid (CID 170324258) is 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid?
The canonical SMILES for 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid is CC1(C)C(=O)N(CC(=O)O)c2ccc(C3CC3)c(F)c21.
What is the InChIKey of 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid?
The InChIKey is QKZBWJYSTMPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-15(2)12-10(17(14(15)20)7-11(18)19)6-5-9(13(12)16)8-3-4-8/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid?
2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid has a molecular weight of 277.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-4-fluoro-3,3-dimethyl-2-oxoindol-1-yl)acetic acid is sourced from PubChem (CID 170324258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).