2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid

C97H110BrF2N17O20 — CID 157220454

IUPAC2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid
SMILESCOc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.Cn1cc(CC(N)C(=O)O)c2ccccc21.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O.NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O.NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)[C@@H]1CCCCN1
InChIInChI=1S/C12H14N2O3.2C12H14N2O2.C11H11BrN2O2.2C11H11FN2O2.C11H12N2O3.C11H12N2O2.C6H11NO2/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16;1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14;2*12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;8-6(9)5-3-1-2-4-7-5/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16);2-4,6,10,14H,5,13H2,1H3,(H,15,16);2-5,7,10H,6,13H2,1H3,(H,15,16);3*1-2,4-5,9,14H,3,13H2,(H,15,16);1-2,4-5,9,13-14H,3,12H2,(H,15,16);1-4,6,9,13H,5,12H2,(H,14,15);5,7H,1-4H2,(H,8,9)/t;;;;;;;9-;5-/m.......10/s1
InChIKeyASXRDKUTELDIPE-NTHBDQHSSA-N
MW1951.95 g/mol
LogP10.27
Rot. Bonds26

About 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid

2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid (PubChem CID 157220454) has the molecular formula C97H110BrF2N17O20 and a molecular weight of 1951.95 g/mol. Its IUPAC name is 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid
PubChem CID157220454
Molecular FormulaC97H110BrF2N17O20
Molecular Weight1951.95 g/mol
Exact Mass1949.73
IUPAC Name2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid
SMILESCOc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.Cn1cc(CC(N)C(=O)O)c2ccccc21.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O.NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O.NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)[C@@H]1CCCCN1
InChIInChI=1S/C12H14N2O3.2C12H14N2O2.C11H11BrN2O2.2C11H11FN2O2.C11H12N2O3.C11H12N2O2.C6H11NO2/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16;1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14;2*12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;8-6(9)5-3-1-2-4-7-5/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16);2-4,6,10,14H,5,13H2,1H3,(H,15,16);2-5,7,10H,6,13H2,1H3,(H,15,16);3*1-2,4-5,9,14H,3,13H2,(H,15,16);1-2,4-5,9,13-14H,3,12H2,(H,15,16);1-4,6,9,13H,5,12H2,(H,14,15);5,7H,1-4H2,(H,8,9)/t;;;;;;;9-;5-/m.......10/s1
InChIKeyASXRDKUTELDIPE-NTHBDQHSSA-N
XLogP10.27
TPSA700.81 Ų
H-Bond Donors26
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.95
LogP ≤ 510.27
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1021

Analyze 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

[3-[(2S)-4-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxobutyl]-1-methylindol-5-yl] tert-butyl carbonate;tert-butyl [1-methyl-3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]indol-5-yl] carbonate;methyl (2S)-3-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;(2S)-3-[1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyloxy]indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-1H-indol-3-yl]propanoic acid
CID 90800534
acetic acid;5-bromo-1H-indole;ethyl 2-amino-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propanoate;ethyl 2-nitroacetate;ethyl 2-nitro-3-[5-(4-phenoxyphenyl)-1H-indol-3-yl]propanoate;formaldehyde;(4-phenoxyphenyl)boronic acid;5-(4-phenoxyphenyl)-1H-indole
CID 157257155
5-methoxy-1H-indole;4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoic acid;5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;methyl 4-(bromomethyl)benzoate;methyl 4-[[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]benzoate;piperidin-4-one
CID 157279319
[(2S)-1-amino-3-(5-hydroxy-1-methylindol-3-yl)-1-oxopropan-2-yl]azanium;[(2S)-3-(5-hydroxy-1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;[(2S)-3-(5-hydroxy-1-methylindol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium;methyl (2S)-3-(1,5-dimethylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;methyl (2S)-3-(5-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;trichloride
CID 157942138
3-[(3-bromo-5-methyl-1H-pyrrol-2-yl)methylidene]-6-pyridin-3-yl-1H-indol-2-one;3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;3-[(1,3-dimethylpyrrol-2-yl)methylidene]-6-phenyl-1H-indol-2-one;5-fluoro-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;5-methoxy-3-[(5-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one;5-methyl-3-[(4-methyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 157987816
tert-butyl 2-[3-[[3-(5-bromo-1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-1,3-oxazinane-3-carboxylate;tert-butyl 2-[3-[[3-(5-fluoro-1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-1,3-oxazinane-3-carboxylate;tert-butyl 2-[3-[[(2S)-3-(5-hydroxy-1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-1,3-oxazinane-3-carboxylate;tert-butyl 2-[3-[[3-(5-methoxy-1H-indol-3-yl)-1-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]-1,3-oxazinane-3-carboxylate
CID 158825466
3-(3-aminopropyl)-5-bromo-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-carbamoyl-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(3-fluorophenyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-methoxy-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(2-oxo-2-phenylmethoxyethyl)-1H-indole-2-carboxylic acid
CID 158830452
(2S,3S)-2-[[(5S,11bR)-8-bromo-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-3-methylpentanoic acid;(2S,3S)-2-[[(5S,11bR)-8-fluoro-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-3-methylpentanoic acid;(2S,3S)-2-[[(5S,11bR)-8-hydroxy-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-3-methylpentanoic acid;(2S,3S)-2-[[(5S,11bR)-8-methoxy-3-oxo-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-3-methylpentanoic acid;(2S,3S)-2-[[(5S,11bR)-3-oxo-8-phenylmethoxy-1,2,5,6,11,11b-hexahydroindolizino[8,7-b]indole-5-carbonyl]amino]-3-methylpentanoic acid;ethane
CID 159382614
5-bromo-2-(1H-indol-3-yl)-3,3-dimethyl-1,2-dihydroindole;2-[2-(6-bromo-1H-indol-2-yl)ethyl]-6-methyl-1H-indole;ethyl 2-[2-(1H-indol-3-yl)-3,3-dimethyl-2H-indol-1-yl]acetate;2-(3H-inden-1-yl)-5-methoxy-1H-indole;2-(1H-indol-3-yl)-3,3-dimethyl-1-[(4-methylphenyl)methyl]-2H-indole;2-(5-methyl-1H-indol-3-yl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 159484143
2-[5-[[3,5-bis(hydroxymethyl)phenyl]methoxy]-1H-indol-3-yl]acetic acid;[3-(bromomethyl)-5-(hydroxymethyl)phenyl]methanol;2-(5-hydroxy-1H-indol-3-yl)acetic acid;methyl 2-[5-[[3,5-bis(hydroxymethyl)phenyl]methoxy]-1H-indol-3-yl]acetate;methyl 2-(5-hydroxy-1H-indol-3-yl)acetate
CID 160845635
3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(3S)-3-amino-4-(1H-indol-3-yl)but-1-en-2-ol;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;N-[2-(6-methoxy-3H-inden-1-yl)ethyl]acetamide
CID 161117014
2,3-dihydro-1H-indole;2,3-dihydro-1H-indole-2-carboxylic acid;1H-indole;2-(1H-indol-3-yl)ethanol;1-(2-methoxyphenyl)piperazine;2-methyl-2,3-dihydro-1H-indole;1-methylindole;1-methylindol-5-ol;1-methyl-2-phenylindole;1,2,3,4-tetrahydroquinoline;1,3,3-trimethyl-2-methylideneindole
CID 161332572

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid?
The IUPAC name of 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid (CID 157220454) is 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid.
What is the SMILES notation for 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid?
The canonical SMILES for 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid is COc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1.Cn1cc(CC(N)C(=O)O)c2ccccc21.NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O.NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O.NC(Cc1c[nH]c2ccc(F)cc12)C(=O)O.NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.O=C(O)[C@@H]1CCCCN1.
What is the InChIKey of 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid?
The InChIKey is ASXRDKUTELDIPE-NTHBDQHSSA-N. The full InChI is InChI=1S/C12H14N2O3.2C12H14N2O2.C11H11BrN2O2.2C11H11FN2O2.C11H12N2O3.C11H12N2O2.C6H11NO2/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16;1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16;1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14;2*12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16;12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7;12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10;12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;8-6(9)5-3-1-2-4-7-5/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16);2-4,6,10,14H,5,13H2,1H3,(H,15,16);2-5,7,10H,6,13H2,1H3,(H,15,16);3*1-2,4-5,9,14H,3,13H2,(H,15,16);1-2,4-5,9,13-14H,3,12H2,(H,15,16);1-4,6,9,13H,5,12H2,(H,14,15);5,7H,1-4H2,(H,8,9)/t;;;;;;;9-;5-/m.......10/s1.
What are the key properties of 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid?
2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid has a molecular weight of 1951.95 g/mol, XLogP of 10.27, 26 rotatable bonds, 26 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid;2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid;2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-amino-3-(5-methoxy-1H-indol-3-yl)propanoic acid;2-amino-3-(1-methylindol-3-yl)propanoic acid;2-amino-3-(5-methyl-1H-indol-3-yl)propanoic acid;(2S)-piperidine-2-carboxylic acid is sourced from PubChem (CID 157220454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).