2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid

C14H15FN2O3 — CID 119205230

IUPAC2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C14H15FN2O3/c1-2-5-17(8-13(18)19)14(20)12-7-9-6-10(15)3-4-11(9)16-12/h3-4,6-7,16H,2,5,8H2,1H3,(H,18,19)
InChIKeyNRHGVWYTKSVCBJ-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.24
Rot. Bonds5

About 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid

2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid (PubChem CID 119205230) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid
PubChem CID119205230
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C14H15FN2O3/c1-2-5-17(8-13(18)19)14(20)12-7-9-6-10(15)3-4-11(9)16-12/h3-4,6-7,16H,2,5,8H2,1H3,(H,18,19)
InChIKeyNRHGVWYTKSVCBJ-UHFFFAOYSA-N
XLogP2.24
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-5-fluoro-N-methyl-1H-indole-2-carboxamide
CID 17019825
3-[(5-fluoro-1H-indole-2-carbonyl)-methylamino]propanoic acid
CID 110834896
N-benzyl-5-fluoro-N-(2-methoxyethyl)-1H-indole-2-carboxamide
CID 39999780
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007
3-(5-fluoro-1H-indol-2-yl)-3-oxopropanoic acid
CID 170886871
N-ethyl-5-fluoro-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 32647564
1-(5-fluoro-1H-indol-2-yl)-2-hydroxyethanone
CID 146281441
2-[ethyl-(6-methyl-1H-indole-2-carbonyl)amino]acetic acid
CID 119205851
2-[propyl(1H-pyrrole-2-carbonyl)amino]acetic acid
CID 61011951
2-[(5-hydroxy-1H-indole-2-carbonyl)-methylamino]acetic acid
CID 110835789
2-chloro-1-(5-fluoro-1H-indol-2-yl)ethanone
CID 45081081
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid (CID 119205230) is 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid?
The InChIKey is NRHGVWYTKSVCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-2-5-17(8-13(18)19)14(20)12-7-9-6-10(15)3-4-11(9)16-12/h3-4,6-7,16H,2,5,8H2,1H3,(H,18,19).
What are the key properties of 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid?
2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid has a molecular weight of 278.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1H-indole-2-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 119205230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).