2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid

C16H22N2O3 — CID 80572965

IUPAC2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(N)CCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-16(2,17)8-7-14(19)18-10-11(9-15(20)21)12-5-3-4-6-13(12)18/h3-6,11H,7-10,17H2,1-2H3,(H,20,21)
InChIKeyFSCFBNRKYVXRIY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds5

About 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80572965) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80572965
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESCC(C)(N)CCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C16H22N2O3/c1-16(2,17)8-7-14(19)18-10-11(9-15(20)21)12-5-3-4-6-13(12)18/h3-6,11H,7-10,17H2,1-2H3,(H,20,21)
InChIKeyFSCFBNRKYVXRIY-UHFFFAOYSA-N
XLogP2.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572291
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305
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
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-[1-[2-(aminomethyl)pentanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80572570

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80572965) is 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid is CC(C)(N)CCC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is FSCFBNRKYVXRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(2,17)8-7-14(19)18-10-11(9-15(20)21)12-5-3-4-6-13(12)18/h3-6,11H,7-10,17H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80572965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).