2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid

C21H19FN2O4 — CID 11516483

IUPAC2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid
SMILESO=C(O)COC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C21H19FN2O4/c22-14-5-6-17-13(7-14)9-19(23-17)21(27)24-18-8-12-3-1-2-4-15(12)16(18)10-28-11-20(25)26/h1-7,9,16,18,23H,8,10-11H2,(H,24,27)(H,25,26)/t16-,18-/m1/s1
InChIKeyAGMRTFVDNBLLQV-SJLPKXTDSA-N
MW382.39 g/mol
LogP2.85
Rot. Bonds6

About 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid

2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid (PubChem CID 11516483) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid
PubChem CID11516483
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid
SMILESO=C(O)COC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C21H19FN2O4/c22-14-5-6-17-13(7-14)9-19(23-17)21(27)24-18-8-12-3-1-2-4-15(12)16(18)10-28-11-20(25)26/h1-7,9,16,18,23H,8,10-11H2,(H,24,27)(H,25,26)/t16-,18-/m1/s1
InChIKeyAGMRTFVDNBLLQV-SJLPKXTDSA-N
XLogP2.85
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid
CID 11516790
5-fluoro-N-[(1R)-1-propyl-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 143271417
2-[(1R,2R)-2-[(5-chloro-6-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 46891446
5-fluoro-N-[2-(2-fluorophenyl)cyclopropyl]-1H-indole-2-carboxamide
CID 126806763
tert-butyl 2-[[(1R,2R)-2-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetate
CID 59355902
2-[(1R,2R)-2-[(5-chloro-7-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 11675427
2-[2-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 69153798
(2R)-2-[(1R,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 68930958
ethane;(2S)-4-methoxy-2-[2-[(5-methyl-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]butanoic acid
CID 143271418
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-5-fluoro-1H-indole-2-carboxamide
CID 172664472
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid (CID 11516483) is 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid is O=C(O)COC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid?
The InChIKey is AGMRTFVDNBLLQV-SJLPKXTDSA-N. The full InChI is InChI=1S/C21H19FN2O4/c22-14-5-6-17-13(7-14)9-19(23-17)21(27)24-18-8-12-3-1-2-4-15(12)16(18)10-28-11-20(25)26/h1-7,9,16,18,23H,8,10-11H2,(H,24,27)(H,25,26)/t16-,18-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid?
2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid has a molecular weight of 382.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]acetic acid is sourced from PubChem (CID 11516483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).