2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid

C12H11FN2O3 — CID 75513250

IUPAC2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)NCC(=O)O)cc12
InChIInChI=1S/C12H11FN2O3/c1-6-2-7(13)3-9-8(6)4-10(15-9)12(18)14-5-11(16)17/h2-4,15H,5H2,1H3,(H,14,18)(H,16,17)
InChIKeyCJVRLANMJJZQSM-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.43
Rot. Bonds3

About 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid

2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid (PubChem CID 75513250) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
PubChem CID75513250
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid
SMILESCc1cc(F)cc2[nH]c(C(=O)NCC(=O)O)cc12
InChIInChI=1S/C12H11FN2O3/c1-6-2-7(13)3-9-8(6)4-10(15-9)12(18)14-5-11(16)17/h2-4,15H,5H2,1H3,(H,14,18)(H,16,17)
InChIKeyCJVRLANMJJZQSM-UHFFFAOYSA-N
XLogP1.43
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid (CID 75513250) is 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid is Cc1cc(F)cc2[nH]c(C(=O)NCC(=O)O)cc12.
What is the InChIKey of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid?
The InChIKey is CJVRLANMJJZQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c1-6-2-7(13)3-9-8(6)4-10(15-9)12(18)14-5-11(16)17/h2-4,15H,5H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid?
2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid has a molecular weight of 250.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-4-methyl-1H-indole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 75513250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).