2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid

C12H11ClN2O3 — CID 110835856

IUPAC2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
SMILESCn1c(C(=O)NCC(=O)O)cc2ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O3/c1-15-9-5-8(13)3-2-7(9)4-10(15)12(18)14-6-11(16)17/h2-5H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyFDRQOGHNTOGLCD-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.65
Rot. Bonds3

About 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid

2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid (PubChem CID 110835856) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
PubChem CID110835856
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
SMILESCn1c(C(=O)NCC(=O)O)cc2ccc(Cl)cc21
InChIInChI=1S/C12H11ClN2O3/c1-15-9-5-8(13)3-2-7(9)4-10(15)12(18)14-6-11(16)17/h2-5H,6H2,1H3,(H,14,18)(H,16,17)
InChIKeyFDRQOGHNTOGLCD-UHFFFAOYSA-N
XLogP1.65
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-methylindole-2-carboxamide
CID 177140343
2-[[(2S)-2-[(5-chloro-1-methylindole-2-carbonyl)amino]propanoyl]amino]acetic acid
CID 7070087
N-(1-aminopropan-2-yl)-6-chloro-1-methylindole-2-carboxamide
CID 110833586
6-chloro-N-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylindole-2-carboxamide
CID 99949687
6-chloro-1-methyl-N-[(1-oxo-2,3-dihydroisoindol-5-yl)methyl]indole-2-carboxamide
CID 177139910
N-[(6-carbamoyl-5-methyl-2-pyridinyl)methyl]-6-chloro-1-methylindole-2-carboxamide
CID 177140115
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889
N-(2-aminoethyl)-1,6-dimethylindole-2-carboxamide
CID 110833567
6-chloro-N-[(1S)-1-[4-(cyanomethyl)phenyl]ethyl]-1-methylindole-2-carboxamide
CID 177140014
N-(5-chloro-2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 56581495
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
(3S)-3-(3-chlorophenyl)-3-[(6-methoxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 166356748

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid (CID 110835856) is 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid is Cn1c(C(=O)NCC(=O)O)cc2ccc(Cl)cc21.
What is the InChIKey of 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid?
The InChIKey is FDRQOGHNTOGLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-15-9-5-8(13)3-2-7(9)4-10(15)12(18)14-6-11(16)17/h2-5H,6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid?
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid has a molecular weight of 266.68 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 110835856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).