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

C22H21FN2O4 — CID 11516790

IUPAC2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid
SMILESCC(OC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)O
InChIInChI=1S/C22H21FN2O4/c1-12(22(27)28)29-11-17-16-5-3-2-4-13(16)9-19(17)25-21(26)20-10-14-8-15(23)6-7-18(14)24-20/h2-8,10,12,17,19,24H,9,11H2,1H3,(H,25,26)(H,27,28)/t12?,17-,19-/m1/s1
InChIKeyLLPJBURWXGZPQJ-RHABNTCASA-N
MW396.42 g/mol
LogP3.23
Rot. Bonds6

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

2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid (PubChem CID 11516790) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 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]propanoic acid.

Molecular Properties

Compound Name2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid
PubChem CID11516790
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Name2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid
SMILESCC(OC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)O
InChIInChI=1S/C22H21FN2O4/c1-12(22(27)28)29-11-17-16-5-3-2-4-13(16)9-19(17)25-21(26)20-10-14-8-15(23)6-7-18(14)24-20/h2-8,10,12,17,19,24H,9,11H2,1H3,(H,25,26)(H,27,28)/t12?,17-,19-/m1/s1
InChIKeyLLPJBURWXGZPQJ-RHABNTCASA-N
XLogP3.23
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.23
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]propanoic 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]acetic acid
CID 11516483
5-fluoro-N-[(1R)-1-propyl-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 143271417
(2R)-2-[(1R,2R)-2-[(5-chloro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]propanoic acid
CID 68930958
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
ethane;(2S)-4-methoxy-2-[2-[(5-methyl-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]butanoic acid
CID 143271418
2-[(1R,2R)-2-[(5-chloro-7-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 11675427
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
2-[2-[(2-chloro-6H-thieno[2,3-b]pyrrole-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 69153798
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788
5-chloro-N-[(1S,2S)-1-(methanesulfonamido)-2,3-dihydro-1H-inden-2-yl]-1H-indole-2-carboxamide
CID 24887280

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]propanoic acid?
The IUPAC name of 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid (CID 11516790) is 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic 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]propanoic acid?
The canonical SMILES for 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid is CC(OC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1)C(=O)O.
What is the InChIKey of 2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid?
The InChIKey is LLPJBURWXGZPQJ-RHABNTCASA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-12(22(27)28)29-11-17-16-5-3-2-4-13(16)9-19(17)25-21(26)20-10-14-8-15(23)6-7-18(14)24-20/h2-8,10,12,17,19,24H,9,11H2,1H3,(H,25,26)(H,27,28)/t12?,17-,19-/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]propanoic acid?
2-[[(1R,2R)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]methoxy]propanoic acid has a molecular weight of 396.42 g/mol, XLogP of 3.23, 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]propanoic acid is sourced from PubChem (CID 11516790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).