5-(2-aminoacetyl)-1H-indole-2-carboxylic acid

C11H10N2O3 — CID 170861029

IUPAC5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
SMILESNCC(=O)c1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C11H10N2O3/c12-5-10(14)6-1-2-8-7(3-6)4-9(13-8)11(15)16/h1-4,13H,5,12H2,(H,15,16)
InChIKeyZWJPOUXCOPLSQD-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.01
Rot. Bonds3

About 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid

5-(2-aminoacetyl)-1H-indole-2-carboxylic acid (PubChem CID 170861029) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
PubChem CID170861029
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(2-aminoacetyl)-1H-indole-2-carboxylic acid
SMILESNCC(=O)c1ccc2[nH]c(C(=O)O)cc2c1
InChIInChI=1S/C11H10N2O3/c12-5-10(14)6-1-2-8-7(3-6)4-9(13-8)11(15)16/h1-4,13H,5,12H2,(H,15,16)
InChIKeyZWJPOUXCOPLSQD-UHFFFAOYSA-N
XLogP1.01
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yloxycarbonyl-1H-indole-2-carboxylic acid
CID 68855698
2-prop-1-en-2-yl-1H-indole-5-carboxylic acid
CID 166785010
5-(2-aminoacetyl)-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 18002813
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 68683143
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
ethane;1H-indole-2-carboxylic acid
CID 91052830
5-(4-methylpiperazin-1-yl)-1H-indole-2-carboxylic acid
CID 83972146
2-carbamoyl-1H-indole-6-carboxylic acid
CID 70896199
5-(2-carboxyethenyl)-1H-indole-2-carboxylic acid
CID 169460950

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid (CID 170861029) is 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid is NCC(=O)c1ccc2[nH]c(C(=O)O)cc2c1.
What is the InChIKey of 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid?
The InChIKey is ZWJPOUXCOPLSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-5-10(14)6-1-2-8-7(3-6)4-9(13-8)11(15)16/h1-4,13H,5,12H2,(H,15,16).
What are the key properties of 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid?
5-(2-aminoacetyl)-1H-indole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoacetyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 170861029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).