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

C12H14N2O3 — CID 80573375

IUPAC2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESNCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c13-6-11(15)14-7-8(5-12(16)17)9-3-1-2-4-10(9)14/h1-4,8H,5-7,13H2,(H,16,17)
InChIKeyQOBJJMJITWNVJL-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.55
Rot. Bonds3

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

2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 80573375) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID80573375
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESNCC(=O)N1CC(CC(=O)O)c2ccccc21
InChIInChI=1S/C12H14N2O3/c13-6-11(15)14-7-8(5-12(16)17)9-3-1-2-4-10(9)14/h1-4,8H,5-7,13H2,(H,16,17)
InChIKeyQOBJJMJITWNVJL-UHFFFAOYSA-N
XLogP0.55
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.55
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-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-[1-[2-(aminomethyl)pentanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80572570
2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572291
2-[1-(2-amino-2-oxoethyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80578328
2-[1-(2,2,2-trifluoroethoxycarbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80571667
2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-[1-(2-amino-3-methoxypropanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 81101850
1-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]butan-1-one
CID 63235305

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid (CID 80573375) is 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid is NCC(=O)N1CC(CC(=O)O)c2ccccc21.
What is the InChIKey of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is QOBJJMJITWNVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-6-11(15)14-7-8(5-12(16)17)9-3-1-2-4-10(9)14/h1-4,8H,5-7,13H2,(H,16,17).
What are the key properties of 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 234.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 80573375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).