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

C16H17FN2O4 — CID 124705169

IUPAC(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C16H17FN2O4/c17-10-3-4-11-9(8-18-12(11)7-10)6-13(16(21)22)19-15(20)14-2-1-5-23-14/h3-4,7-8,13-14,18H,1-2,5-6H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1
InChIKeyUNLHOFVJBVXSJH-ZIAGYGMSSA-N
MW320.32 g/mol
LogP1.60
Rot. Bonds5

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

(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid (PubChem CID 124705169) has the molecular formula C16H17FN2O4 and a molecular weight of 320.32 g/mol. Its IUPAC name is (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
PubChem CID124705169
Molecular FormulaC16H17FN2O4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C16H17FN2O4/c17-10-3-4-11-9(8-18-12(11)7-10)6-13(16(21)22)19-15(20)14-2-1-5-23-14/h3-4,7-8,13-14,18H,1-2,5-6H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1
InChIKeyUNLHOFVJBVXSJH-ZIAGYGMSSA-N
XLogP1.60
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
CID 124705140
3-(5-bromo-1H-indol-3-yl)-2-(oxolane-2-carbonylamino)propanoic acid
CID 119257948
(2R)-3-(1H-indol-3-yl)-2-[[(2S)-oxane-2-carbonyl]amino]propanoic acid
CID 124705255
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-[[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 124684458
(2S)-2-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 97233878
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
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 110731466
3-(6-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 23340088
2-(6-fluoro-1H-indol-3-yl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 172548059
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

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid (CID 124705169) is (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid is O=C(O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid?
The InChIKey is UNLHOFVJBVXSJH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H17FN2O4/c17-10-3-4-11-9(8-18-12(11)7-10)6-13(16(21)22)19-15(20)14-2-1-5-23-14/h3-4,7-8,13-14,18H,1-2,5-6H2,(H,19,20)(H,21,22)/t13-,14-/m1/s1.
What are the key properties of (2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid?
(2R)-3-(6-fluoro-1H-indol-3-yl)-2-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid has a molecular weight of 320.32 g/mol, XLogP of 1.60, 5 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-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 124705169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).