2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid

C13H14N2O3 — CID 110835889

IUPAC2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
SMILESCc1cccc2cc(C(=O)NCC(=O)O)n(C)c12
InChIInChI=1S/C13H14N2O3/c1-8-4-3-5-9-6-10(15(2)12(8)9)13(18)14-7-11(16)17/h3-6H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeySORLURHVQWUCFQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.30
Rot. Bonds3

About 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid

2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid (PubChem CID 110835889) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
PubChem CID110835889
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
SMILESCc1cccc2cc(C(=O)NCC(=O)O)n(C)c12
InChIInChI=1S/C13H14N2O3/c1-8-4-3-5-9-6-10(15(2)12(8)9)13(18)14-7-11(16)17/h3-6H,7H2,1-2H3,(H,14,18)(H,16,17)
InChIKeySORLURHVQWUCFQ-UHFFFAOYSA-N
XLogP1.30
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,7-dimethyl-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 110851900
1,7-dimethyl-N-[(3-pyrrolidin-1-ylphenyl)methyl]indole-2-carboxamide
CID 72880637
2-[(6-chloro-1-methylindole-2-carbonyl)amino]acetic acid
CID 110835856
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1,7-dimethylindole-2-carboxamide
CID 72901674
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
CID 72864091
N-(1,1-dioxothiolan-3-yl)-1,7-dimethylindole-2-carboxamide
CID 110852739
(4,4-difluoropiperidin-1-yl)-(1,7-dimethylindol-2-yl)methanone
CID 72848626
5-(1,7-dimethylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115107937
7-ethenyl-1-methyl-N-propylindole-2-carboxamide
CID 171663054
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
CID 83859980
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070

Frequently Asked Questions

What is the IUPAC name of 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid (CID 110835889) is 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid is Cc1cccc2cc(C(=O)NCC(=O)O)n(C)c12.
What is the InChIKey of 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid?
The InChIKey is SORLURHVQWUCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-8-4-3-5-9-6-10(15(2)12(8)9)13(18)14-7-11(16)17/h3-6H,7H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid?
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid has a molecular weight of 246.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 110835889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).