(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid

C14H15FN2O3 — CID 29126778

IUPAC(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCOCC1
InChIInChI=1S/C14H15FN2O3/c15-9-1-2-10-11(8-16-12(10)7-9)13(14(18)19)17-3-5-20-6-4-17/h1-2,7-8,13,16H,3-6H2,(H,18,19)/t13-/m0/s1
InChIKeyIRLFPONYDZARSR-ZDUSSCGKSA-N
MW278.28 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid

(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid (PubChem CID 29126778) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
PubChem CID29126778
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCOCC1
InChIInChI=1S/C14H15FN2O3/c15-9-1-2-10-11(8-16-12(10)7-9)13(14(18)19)17-3-5-20-6-4-17/h1-2,7-8,13,16H,3-6H2,(H,18,19)/t13-/m0/s1
InChIKeyIRLFPONYDZARSR-ZDUSSCGKSA-N
XLogP1.76
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 29128233
(2R)-2-(4-benzylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 29112289
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42581936
2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 42652475
(2R)-2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 39340993
2-(6-fluoro-1H-indol-3-yl)-2-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 42654987
2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42651433
(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 29128823
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42652263
(2R)-2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 29128088
2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073431
(2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ylacetic acid
CID 42580822

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
The IUPAC name of (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid (CID 29126778) is (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid is O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCOCC1.
What is the InChIKey of (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
The InChIKey is IRLFPONYDZARSR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-9-1-2-10-11(8-16-12(10)7-9)13(14(18)19)17-3-5-20-6-4-17/h1-2,7-8,13,16H,3-6H2,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid?
(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid has a molecular weight of 278.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 29126778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).