2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid

C16H17FN2O4 — CID 119211215

IUPAC2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CCOCC1
InChIInChI=1S/C16H17FN2O4/c17-12-2-1-3-13-11(12)8-14(18-13)16(22)19(9-15(20)21)10-4-6-23-7-5-10/h1-3,8,10,18H,4-7,9H2,(H,20,21)
InChIKeyBWAFMZGCIKFHNK-UHFFFAOYSA-N
MW320.32 g/mol
LogP2.01
Rot. Bonds4

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

2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid (PubChem CID 119211215) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid
PubChem CID119211215
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CCOCC1
InChIInChI=1S/C16H17FN2O4/c17-12-2-1-3-13-11(12)8-14(18-13)16(22)19(9-15(20)21)10-4-6-23-7-5-10/h1-3,8,10,18H,4-7,9H2,(H,20,21)
InChIKeyBWAFMZGCIKFHNK-UHFFFAOYSA-N
XLogP2.01
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
The IUPAC name of 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid (CID 119211215) is 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid is O=C(O)CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CCOCC1.
What is the InChIKey of 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
The InChIKey is BWAFMZGCIKFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-12-2-1-3-13-11(12)8-14(18-13)16(22)19(9-15(20)21)10-4-6-23-7-5-10/h1-3,8,10,18H,4-7,9H2,(H,20,21).
What are the key properties of 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid?
2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid has a molecular weight of 320.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid is sourced from PubChem (CID 119211215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).