2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

C85H90F6N10O16 — CID 161313516

IUPAC2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(CO)Cc1ccccn1.CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)O.NC(CO)Cc1ccccn1.NC(Cc1ccccn1)C(=O)O.O=C(NC(CO)c1cccnc1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C18H11F3O3.C13H18N2O4.C13H20N2O3.C8H10N2O2.C8H12N2O/c26-25(27,28)19-7-9-20(10-8-19)33-23-5-1-3-16-13-17(6-11-21(16)23)24(32)30-22(15-31)18-4-2-12-29-14-18;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9;1-13(2,3)18-12(17)15-11(9-16)8-10-6-4-5-7-14-10;9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(6-11)5-8-3-1-2-4-10-8/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17);4-7,11,16H,8-9H2,1-3H3,(H,15,17);1-4,7H,5,9H2,(H,11,12);1-4,7,11H,5-6,9H2
InChIKeyVJEWWBAKNKGKJI-UHFFFAOYSA-N
MW1621.70 g/mol
LogP13.95
Rot. Bonds23

About 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid

2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (PubChem CID 161313516) has the molecular formula C85H90F6N10O16 and a molecular weight of 1621.70 g/mol. Its IUPAC name is 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
PubChem CID161313516
Molecular FormulaC85H90F6N10O16
Molecular Weight1621.70 g/mol
Exact Mass1620.64
IUPAC Name2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NC(CO)Cc1ccccn1.CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)O.NC(CO)Cc1ccccn1.NC(Cc1ccccn1)C(=O)O.O=C(NC(CO)c1cccnc1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1
InChIInChI=1S/C25H19F3N2O3.C18H11F3O3.C13H18N2O4.C13H20N2O3.C8H10N2O2.C8H12N2O/c26-25(27,28)19-7-9-20(10-8-19)33-23-5-1-3-16-13-17(6-11-21(16)23)24(32)30-22(15-31)18-4-2-12-29-14-18;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9;1-13(2,3)18-12(17)15-11(9-16)8-10-6-4-5-7-14-10;9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(6-11)5-8-3-1-2-4-10-8/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17);4-7,11,16H,8-9H2,1-3H3,(H,15,17);1-4,7H,5,9H2,(H,11,12);1-4,7,11H,5-6,9H2
InChIKeyVJEWWBAKNKGKJI-UHFFFAOYSA-N
XLogP13.95
TPSA413.30 Ų
H-Bond Donors11
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001621.70
LogP ≤ 513.95
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1020

Analyze 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid with MolForge

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Related Compounds

N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213929
(2S)-3-(4-phenylphenyl)-2-[[7-[[4-(trifluoromethyl)phenyl]methoxy]isoquinoline-3-carbonyl]amino]propanoic acid
CID 57717837
3-[[4-[1-[3,5-Dimethyl-4-[4-(trifluoromethyl)phenyl]phenoxy]-2-methylpropyl]benzoyl]amino]propanoic acid;3-[[4-[1-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]pentyl]benzoyl]amino]propanoic acid
CID 87515794
Ethane;5-ethyl-2-(trifluoromethyl)pyridine;2-methyl-2-[(1-methylnaphthalene-2-carbonyl)amino]butanoic acid;2-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carbonyl]amino]butanoic acid
CID 143253252
(2S)-2-[[4-[5-[(2S)-2-carboxy-2-[(2,6-difluorobenzoyl)amino]ethyl]-8-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]quinolin-3-yl]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)quinolin-5-yl]propanoic acid
CID 146614772
N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155262119
(2S)-3,3-diphenyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 156444576
3,3-Diphenyl-2-[[1-[[5-(trifluoromethyl)-2-pyridinyl]methoxy]naphthalene-2-carbonyl]amino]propanoic acid
CID 156444579
CID 157073927
CID 157073927
2-amino-2-pyridin-2-ylethanol;N-(2-hydroxy-1-pyridin-2-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 157084878
cumene;N,N-dimethyl-4-propan-2-ylbenzamide;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-methoxy-2-propan-2-ylbenzene;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-2-propan-2-ylbenzene;1-methyl-4-propan-2-yl-1,4-diazepane;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-propan-2-ylazetidine;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157226026
cumene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)-1,4-diazepane;ethyl 4-propan-2-ylbenzoate;1-fluoro-2-propan-2-ylbenzene;1-(2-methoxyethoxy)-4-propan-2-yl-2-(trifluoromethyl)benzene;1-methoxy-2-propan-2-ylbenzene;4-methoxy-2-propan-2-ylpyridine;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-2-propan-2-ylbenzene;morpholin-4-yl-(4-propan-2-ylphenyl)methanone;2-propan-2-ylazetidine;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157438131

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The IUPAC name of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid (CID 161313516) is 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The canonical SMILES for 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is CC(C)(C)OC(=O)NC(CO)Cc1ccccn1.CC(C)(C)OC(=O)NC(Cc1ccccn1)C(=O)O.NC(CO)Cc1ccccn1.NC(Cc1ccccn1)C(=O)O.O=C(NC(CO)c1cccnc1)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.O=C(O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1.
What is the InChIKey of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
The InChIKey is VJEWWBAKNKGKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3.C18H11F3O3.C13H18N2O4.C13H20N2O3.C8H10N2O2.C8H12N2O/c26-25(27,28)19-7-9-20(10-8-19)33-23-5-1-3-16-13-17(6-11-21(16)23)24(32)30-22(15-31)18-4-2-12-29-14-18;19-18(20,21)13-5-7-14(8-6-13)24-16-3-1-2-11-10-12(17(22)23)4-9-15(11)16;1-13(2,3)19-12(18)15-10(11(16)17)8-9-6-4-5-7-14-9;1-13(2,3)18-12(17)15-11(9-16)8-10-6-4-5-7-14-10;9-7(8(11)12)5-6-3-1-2-4-10-6;9-7(6-11)5-8-3-1-2-4-10-8/h1-14,22,31H,15H2,(H,30,32);1-10H,(H,22,23);4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17);4-7,11,16H,8-9H2,1-3H3,(H,15,17);1-4,7H,5,9H2,(H,11,12);1-4,7,11H,5-6,9H2.
What are the key properties of 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid?
2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid has a molecular weight of 1621.70 g/mol, XLogP of 13.95, 23 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-2-ylpropanoic acid;2-amino-3-pyridin-2-ylpropan-1-ol;tert-butyl N-(1-hydroxy-3-pyridin-2-ylpropan-2-yl)carbamate;N-(2-hydroxy-1-pyridin-3-ylethyl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-2-ylpropanoic acid;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid is sourced from PubChem (CID 161313516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).