(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid

C17H19FN2O4 — CID 124705140

IUPAC(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
SMILESO=C(C[C@H]1CCCO1)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C17H19FN2O4/c18-11-3-4-13-10(9-19-14(13)7-11)6-15(17(22)23)20-16(21)8-12-2-1-5-24-12/h3-4,7,9,12,15,19H,1-2,5-6,8H2,(H,20,21)(H,22,23)/t12-,15-/m1/s1
InChIKeyBCYPVTDZSBEAAU-IUODEOHRSA-N
MW334.35 g/mol
LogP1.99
Rot. Bonds6

About (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid

(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid (PubChem CID 124705140) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
PubChem CID124705140
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
SMILESO=C(C[C@H]1CCCO1)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIInChI=1S/C17H19FN2O4/c18-11-3-4-13-10(9-19-14(13)7-11)6-15(17(22)23)20-16(21)8-12-2-1-5-24-12/h3-4,7,9,12,15,19H,1-2,5-6,8H2,(H,20,21)(H,22,23)/t12-,15-/m1/s1
InChIKeyBCYPVTDZSBEAAU-IUODEOHRSA-N
XLogP1.99
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 124705169
(2R)-2-[[(1R)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 124705160
3-(6-fluoro-1H-indol-3-yl)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 86782582
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
2-(1,3-benzodioxol-5-ylcarbamoylamino)-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 102554220
2-[(4-chloro-2-fluorobenzoyl)amino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 146075876
3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-[[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124684458
(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124704080
2-(6-fluoro-1H-indol-3-yl)-N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 95597083
1-(6-fluoro-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154926

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid (CID 124705140) is (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid is O=C(C[C@H]1CCCO1)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O.
What is the InChIKey of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
The InChIKey is BCYPVTDZSBEAAU-IUODEOHRSA-N. The full InChI is InChI=1S/C17H19FN2O4/c18-11-3-4-13-10(9-19-14(13)7-11)6-15(17(22)23)20-16(21)8-12-2-1-5-24-12/h3-4,7,9,12,15,19H,1-2,5-6,8H2,(H,20,21)(H,22,23)/t12-,15-/m1/s1.
What are the key properties of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid has a molecular weight of 334.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 124705140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).