2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid

C15H20N2O3 — CID 80573957

IUPAC2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(C)NC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)16-14(20)17-9-10(8-13(18)19)11-6-4-5-7-12(11)17/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLLWQDEMXJMBEIS-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.57
Rot. Bonds2

About 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80573957) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80573957
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(C)NC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)16-14(20)17-9-10(8-13(18)19)11-6-4-5-7-12(11)17/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyLLWQDEMXJMBEIS-UHFFFAOYSA-N
XLogP2.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 114913033
2-[1-(3,3-dimethylbutyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578270
2-[1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80571667
2-[1-[2-(aminomethyl)pentanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80572570
2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 81101850
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328

Frequently Asked Questions

What is the IUPAC name of 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80573957) is 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid is CC(C)(C)NC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is LLWQDEMXJMBEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)16-14(20)17-9-10(8-13(18)19)11-6-4-5-7-12(11)17/h4-7,10H,8-9H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80573957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).