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

C13H14N2O3 — CID 170858001

IUPAC2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid
SMILESCc1c(C(=O)CN)c2ccccc2n1CC(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-13(11(16)6-14)9-4-2-3-5-10(9)15(8)7-12(17)18/h2-5H,6-7,14H2,1H3,(H,17,18)
InChIKeyVBXGUFIOQRSRLM-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.18
Rot. Bonds4

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

2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid (PubChem CID 170858001) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid
PubChem CID170858001
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid
SMILESCc1c(C(=O)CN)c2ccccc2n1CC(=O)O
InChIInChI=1S/C13H14N2O3/c1-8-13(11(16)6-14)9-4-2-3-5-10(9)15(8)7-12(17)18/h2-5H,6-7,14H2,1H3,(H,17,18)
InChIKeyVBXGUFIOQRSRLM-UHFFFAOYSA-N
XLogP1.18
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-3-[2-(4-methylpiperazin-1-yl)acetyl]indol-1-yl]acetic acid
CID 170861230
2-(2-methyl-3-sulfamoylindol-1-yl)acetic acid
CID 82696049
2-[3-(2-aminoethyl)-2-methylindol-1-yl]acetamide
CID 54594673
acetic acid;2-[2-methyl-3-(3-nitrophenyl)indol-1-yl]acetic acid
CID 70182591
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 3159855
(2-methyl-1-undecylindol-3-yl)-phenylmethanone
CID 70525759
2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
CID 82489066
2-[6-chloro-3-(4-chlorobenzoyl)-2-methylindol-1-yl]acetic acid
CID 154125562
2-(2,3,4-trimethylindol-1-yl)acetic acid
CID 21386792
2-[2-methyl-3-[(6-oxo-1H-pyridazin-3-yl)methyl]indol-1-yl]acetic acid
CID 67150827
2-methyl-1-[(3-methylphenyl)methyl]indole-3-carboxylic acid
CID 91690082
2-[3-[2-[methanethioyl(2-phenylethyl)amino]ethyl]-2-methylindol-1-yl]acetic acid
CID 143820974

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid (CID 170858001) is 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid is Cc1c(C(=O)CN)c2ccccc2n1CC(=O)O.
What is the InChIKey of 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid?
The InChIKey is VBXGUFIOQRSRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-13(11(16)6-14)9-4-2-3-5-10(9)15(8)7-12(17)18/h2-5H,6-7,14H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid?
2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoacetyl)-2-methylindol-1-yl]acetic acid is sourced from PubChem (CID 170858001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).